A promising high-energy compound 3,4,5-trinitro-1H-pyrazol-1-amine (ATNP) with good performances, was synthesized by a mild method. The FT-IR, NMR spectroscopy, MS, elemental analysis, X-ray single crystal diffraction, differential scanning calorimetry (DSC), and thermogravimetric-differential (TG-DTG) analysis techniques were employed to characterize the structure and thermal stability of ATNP. Hirshfeld surfaces and non-covalent interactions were used to examine the intermolecular interactions of ATNP. The results indicate that hydrogen bonds and π-π stacking interactions are responsible for the high density and excellent properties. Additionally, the non-isothermal kinetic parameters and thermodynamic parameters were calculated by utilizing the Kissinger's and Ozawa-Doyle's methods. The enthalpiy of formation for ATNP was calculated, and their sensitivities to mechanical impact and friction were tested according to BAM method. The energetic properties of ATNP were determined using EXPLO5 program. ATNP exhibits high density (1.836 g•cm⁻³), good thermal stability (T_d: 233°C), impressive detonation performance (V_D = 9271 m•s⁻¹, P = 38.5 GPa), as well as low sensitivities (IS = 30 J, FS = 120 N). ATNP is a potential candidate for application in the field of insensitive high-energy materials.

一种有前途的高能化合物 3,4,5-trinitro-1 H通过温和的方法合成了具有良好性能的-吡唑-1-胺（ATNP）。FT-IR、NMR光谱、MS、元素分析、X射线单晶衍射、差示扫描量热法(DSC)和热重-差示法(TG-DTG)分析技术被用来表征ATNP的结构和热稳定性。Hirshfeld 表面和非共价相互作用用于检查 ATNP 的分子间相互作用。结果表明，氢键和 π-π 堆积相互作用是造成高密度和优异性能的原因。此外，非等温动力学参数和热力学参数是利用 Kissinger 和 Ozawa-Doyle 的方法计算的。计算了 ATNP 的生成焓，并根据 BAM 方法测试它们对机械冲击和摩擦的敏感性。使用EXPLO5程序确定ATNP的能量特性。ATNP 具有高密度 (1.836 g•cm⁻³ )、良好的热稳定性 (T _d : 233°C)、令人印象深刻的爆轰性能 ( V _D  = 9271 m•s ^-1 , P  = 38.5 GPa) 以及低灵敏度 (IS = 30 J, FS = 120否）。ATNP是在不敏感高能材料领域应用的潜在候选者。