In this study, 1-(trinitromethyl)-3-nitro-5-azidopyrazole (Compound 1) was synthesized from 1-acetonyl-3,5-dinitropyrazole via nitration, and its potassium salt, 1-(dinitromethyl)-3-nitro-5-azidopyrazole potassium salt (Compound 2), was prepared through a salification reaction with KI.The structures of both compounds were characterized by Fourier-transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR), and their crystal structures were determined using X-ray single-crystal diffraction. The results show that Compound 2 contains both azido and dinitromethylene groups, exhibiting superior overall properties, including a high decomposition temperature (151.41 °C) and detonation velocity (8369 m?s?1). It is relatively sensitive to external mechanical stimuli but is still suitable as an initiator. The detonation performance of Compound 2 was further analyzed using Gaussian and Explo5 software, with results consistent with experimental data. This research provides valuable insights for the design of novel green explosives.