The district has roots going back to the Paleolithic Age, with ample evidence found at the Pandavula Gutta caves. Prehistoric people lived in the region from at least 11.25 lakh years to 20,000 years BC, as estimated by collaborating evidence found here with evidence from other archaeological sites. The painted rock shelters at Pandavulagutta date to 10,000 BC – 8,000 BC, with paintings resembling those at Bhimbetka in Madhya Pradesh, featuring flora, fauna and human figures in red ochre.

The district is home to one of the largest assemblages of megalithic burials in India. The Janampet megalithic site contains over 4,000 dolmenoid cists, indicating substantial burial practices in the region. The site was first excavated in 1918 and later in the 1940s during the Nizam's time.

The Mudumal Megalithic Site, located in the district, is one of the most well-preserved burial sites from the Iron Age, featuring various types of megalithic structures including dolmens, stone circles, and cairn burials. Chamber tombs recently unearthed in the forest hillocks along the Godavari throw new light on burial practices of the era.

Jayashankar Bhupalpally is linked with the dynasties of the Great Vishnukundins and even prior to that, with the Buddhist and pre-Buddhist periods of Indian history. The region was part of the broader Deccan cultural landscape, with evidence of early habitation and trade routes along the Godavari river.

The district was part of the Vishnukundin kingdom, which ruled over much of the Deccan during the 4th–6th centuries CE. Later, the region came under the influence of the Early Chalukyas of Badami and the Rashtrakutas. An 8th-century inscription of the Rashtrakuta period has been found at Pandavulagutta, indicating their presence in the area.

The Ghanpur Temples, also known as "Kota Gullu" or Ganapeshwaralayam, are a cluster of over 20 ancient stone temples constructed in the late 12th to early 13th century during the Kakatiya dynasty. The temples were constructed by King Ganapatideva of the Kakatiya dynasty. From epigraphical evidence, the date corresponds to 1234–35 CE.

The Ghanpur temple complex is a testament to the architectural grandeur of the Kakatiya period and is considered a prototype of the famous Ramappa Temple in Palampet. The temples are located in Ghanpur village, which was historically part of the Mulug Taluk. In January 2023, a group from the Deccan Heritage Foundation visited the 13th-century Kakatiya temple complex at Ghanpur.

The Kaleshwara Mukteswara Swamy Temple at Kaleshwaram is one of the most revered Shiva temples in Telangana. The temple's origins trace back to the 12th century during the reign of the Kakatiya king Rudra Deva (1158–1195 CE), as evidenced by historical inscriptions.

The temple is significant because of the two Shiva Lingas found on a single pedestal, named Lord Shiva (Mukteshwara) and Lord Yama (Kaleshwar). According to legend in the Skanda Purana, the twin lingas self-manifested after penance by the Godavari River. The temple is located at the Dakshina Triveni Sangamam, where the rivers Godavari, Pranahita, and the third illusionary Antarvahini meet.

Pandavulagutta (also known as Pandavula Konda) in Regonda mandal is home to prehistoric rock paintings from three different time periods that have coexisted admirably down the ages. The site features:

• Painted rock shelters dating to 10,000 BC – 8,000 BC with pre-historic rock paintings resembling those at Bhimbetka.
• An 8th-century inscription of the Rashtrakuta period.
• Painted frescoes from the 12th-century Kakatiya empire, depicting scenes from the Mahabharata and of the elephant-headed Ganesha.

The site was first discovered in 1990 by K. Ramakrishna Rao, an official of the Department of Archaeology and Museums. However, the millennia-old rock paintings have been prey to defacement and graffiti, with figures of magnificent beauty ruined by scraped graffiti and smeared oil paints.

After the fall of the Kakatiya kingdom, the region fell under the Bahmani Sultanate and later the Qutb Shahi dynasty of Golconda. The dense forests and tribal populations meant that central control remained limited, with the region serving as a buffer zone between the Deccan sultanates and the tribal hinterlands.

With the Mughal conquest of Golconda in 1687, the region came under Mughal suzerainty. Following the decline of the Mughal Empire, it came under the Asaf Jahi (Nizam) dynasty of Hyderabad. The Nizams maintained nominal control over the region, which remained largely forested and tribal-dominated.

Administrative Status: Throughout the Nizam's rule, the area functioned as a peripheral territory with limited administrative reach. The Janampet megalithic site was excavated in the 1940s during the Nizam's time.

After Operation Polo (September 1948), the region became part of Hyderabad State, Indian Union. Following the States Reorganisation Act in 1956, it became part of the newly formed State of Andhra Pradesh. The region remained part of Warangal district during this period.

The region (then part of Warangal district) came under Indian administration after Operation Polo (September 1948). This marked the end of Asaf Jahi rule and the suppression of Razakar activity in the area.

Key Developments:

• End of Asaf Jahi rule; Razakar activity suppressed.
• Police stations established in Bhupalpally, Kataram, and Mahadevpur.

Following the States Reorganisation Act in 1956, Telangana merged with Andhra to form the State of Andhra Pradesh. The Bhupalpally region remained under Warangal district during this period.

The Singareni Collieries Company Limited (SCCL) significantly expanded its operations in the district during this period, marking one of the most defining events in the region's modern history.

Key Areas of Expansion:

• Bhupalpally coal belt – Major mining operations established.
• Kataram–Mahadevpur region – Extensive coal deposits exploited.

Socio-Economic Impact:

• Township development – New residential colonies built for mine workers and their families.
• Worker settlements – Permanent communities emerged around mining areas.
• Industrial employment boom – Thousands of local and migrant workers gained employment, transforming the region from a forested, tribal-dominated area into an industrial hub.

The expansion of coal mining brought infrastructure development, roads, schools, hospitals, and markets to the region, fundamentally altering its economic and social fabric.

The Mahadevpur–Kataram–Chennur forest belt was a major Naxal corridor during this period. The district became a focal point of left-wing extremism, shaping its security landscape for decades.

Key Developments:

• Encounters, surrenders, and combing operations were frequent in the region.
• Police camps were established in border mandals to counter Naxal activity.
• The dense forest cover and proximity to Chhattisgarh made the area a strategic Naxal stronghold.

The district witnessed significant infrastructure development during this period, transforming its connectivity and economic landscape.

Key Developments:

• Development of the Manthani–Mahadevpur–Kataram road network.
• Bridges over the Godavari improved connectivity with Karimnagar and Mancherial.
• Growth of Bhupalpally as a regional commercial center.

The region actively participated in the Telangana statehood movements. Bhupalpally became a major rally point for the movement, with strong participation from students, coal workers, and government employees.

The district was later named after Prof. Kothapalli Jayashankar, the legendary Telangana ideologue who laid the ideological foundation for the movement and dedicated his entire life to the cause of statehood.

In 2014, Telangana was formed as the 29th state, and the region became part of the new state.

On 11 October 2016, the district was officially formed as part of the reorganisation of districts in Telangana. It was carved out of the erstwhile Warangal district, with the annexation of some parts of Karimnagar and Khammam.

The district was named after Prof. Kothapalli Jayashankar, the legendary Telangana ideologue, as a tribute to his contributions to the statehood movement. The district headquarters are located at Bhupalpally.

Mandals in Bhupalpally District:

• Bhupalpally
• Ghanpur (Mulug)
• Mahadevpur
• Kataram
• Chityal
• Mutharam
• Tekumatla
• Mogullapally
• Regonda

Note: On 17 February 2019, Mulugu district was bifurcated from Bhupalpally, taking 9 mandals (Mulug, Venkatapur, Govindaraopet, Tadavi, Eturunagaram, Kannalgudem, Mangapet, Venkatapuram, Wazeed) to form the new district. These are covered in the Mulugu district history.

The district initially consisted of 10 mandals with 2 excise stations. Over time, it has been reorganized into 2 revenue divisions (Bhupalpally and Kataram) and 11 mandals.

The district has emerged as a major industrial and energy hub with several significant developments:

• Kakatiya Thermal Power Plant (Chelpur) became a major energy hub, contributing significantly to Telangana's power grid.
• Expansion of Singareni opencast mines increased coal production and employment.
• New MSME industrial proposals in Bhupalpally are under consideration, promising further economic growth.

The district has faced recurring challenges due to its proximity to the Godavari river and the Chhattisgarh border:

• Mahadevpur–Kataram mandals were frequently affected by Godavari floods, leading to evacuations and crop loss.
• Border security was tightened due to the district's proximity to Chhattisgarh, a Naxal-affected state.
• In August 2023, heavy rains and floods caused significant damage to infrastructure and agriculture in the region.

The district continues to yield significant archaeological finds:

• 2022: An intricately carved sculpture of a woman deity, believed to be Goddess Mahalakshmi, was found at a dilapidated temple at Minajipet village in Mahamutharam mandal.
• 2023: A group from the Deccan Heritage Foundation visited the 13th-century Ghanpur temple complex.
• 2024: Pandavula Gutta received the Geo Heritage Tag.
• 2026: A sculpture of Lord Vishnu in the form of Chennakesava was found in a stream in Chinthakani village, Kataram mandal.

In February 2026, Chief Minister Revanth Reddy rejected allegations that the government would scrap the Bhupalpally district, clarifying that there were no plans to create new districts or abolish existing ones. The district continues to develop as an important administrative and cultural centre in Telangana.