Synthesis and properties of 3,4,5-trinitropyrazole-1-ol and its energetic salts

3,4,5-Trinitropyrazole-1-ol and its nitrogen-rich salts were synthesized and well characterized by 1H, 13C NMR (some with 15N NMR), and IR spectroscopy, and by elemental analysis. Additionally, the structures of the ammonium and triazolium 3,4,5-trinitropyrazole-olates were confirmed by single-crystal X-ray diffraction. With respect to measured or calculated properties, such as thermal stability (Td, 118–186 °C), density (1.72–1.90 g cm−3), detonation performance (P, 28.77–36.40 GPa; vD, 8175–8676 m s−1), and impact sensitivity (1–40 J), 3,4,5-trinitropyrazole-1-ol and its salts have the potential to be useful energetic materials.