Jatropha curcas (JC), as a biofuel plant, has been reported to have various desired characteristics such as high oil content seeds (27–40%), fast-growth, easy cultivation, drought tolerance, and can be grown on marginal soil and wasteland, requiring fewer nutrients and management and does not interfere with existing food crops, insects, and pest resistance. This investigation was the first study of its type to use climatological data, blue/green water footprints, and JC seed production to identify suitable sites for JC bioenergy plantation using the AquaCrop FAO model across the Khyber Pakhtunkhwa province in northwest Pakistan. The JC seed yield (10 ton/ha) was at a maximum in the districts of Bannu, Karak, Hangu, Kurram, North Waziristan, Lakki Marwat, South Waziristan, and Dera Ismail Khan, in addition to its frontier regions, Tank, Peshawar, Mohmand, Orakzai, Khyber, Kohat, Charsadda, Mardan, Swabi, and Nowshera, respectively. Green water footprint (264 m3/ton of JC seed) and blue water footprint (825 m3/ton) was less in these areas. Furthermore, the results revealed that, depending on climatological circumstances, the southern part of the Khyber Pakhtunkhwa province is more appropriate for JC bioenergy plantation than the northern region. The districts of Bannu, Karak, Hangu, Kurram, North Waziristan, Lakki Marwat, South Waziristan, Dera Ismail Khan, and its frontier regions, Tank, Peshawar, Mohmand, Orakzai, Khyber, and Kohat, in Khyber Pakhtunkhwa province were identified to be the most ideal places for JC bioenergy plantation. As a result, under the Billion Tree Afforestation Project (BTAP) and the Green Pakistan Project, the Forest Department of Khyber Pakhtunkhwa should consider planting JC species in the province’s southern region. Furthermore, this research will provide scientific information to government and private sector officials for better management and optimum yield of the JC biofuel crop, as well as for the promotion of energy forestry in Pakistan.