Starting from 3,5-dichloroanisole, 2,4,6-trinitro-3,5-dichloroanisole was obtained via mixed acid nitration, which was then reacted with 4-aminopyrazole to afford 3-chloro-5-methoxy-2,4,6-trinitro-N-(1H-pyrazol-4-yl)aniline (1). Subsequent nitration of compound 1 with fuming nitric acid followed by amination with aqueous ammonia successfully yielded N-(3,5-diamino-2,4,6-trinitrophenyl)-3,5-dinitro-1H-pyrazol-4-amine (4). The structures of the target compounds were characterized by fourier transform infrared spectroscopy, nuclear magnetic resonance, elemental analysis and single-crystal X-ray diffraction. The detonation properties were calculated using the EXPLO5 software. A simultaneous thermogravimetry-differential scanning calorimetry analyzer and impact/friction sensitivity testers were employed to determine the thermal decomposition temperature and mechanical sensitivities, respectively. The results show that compound 4 crystallizes in the monoclinic crystal system with the P21 space group. Its unit cell parameters are a=6.2175(2) Å, b=9.2348(4) Å, c=12.5837(5) Å, giving a density of 1.91 g•cm-3 (170 K). The theoretical detonation velocity and detonation pressure are 8576 m•s-1 and 32.1 GPa, respectively. Its thermal decomposition temperature is 217 ℃; the impact sensitivity is 15 J and the friction sensitivity is 160 N. Compound 4 exhibits favorable detonation performance and thermal stability.