Starting from 3，5-dichloroanisole， 2，4，6-trinitro-3，5-dichloroanisole was obtained via nitration with mixed acid， 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.