Anew pyrazole molecule of N-3,5-trimethyl-N-phenyl-1-H-pyrazole-1-carbothioamide (MePhPyC) has been synthesized and characterized by elemental analysis, single crystal x-ray diffraction (XRD), and mass, 1 H NMR, ultraviolet-visible (UV-Vis), and IR spectroscopic techniques. The XRD data show that MePhPyC molecule crystallizes in the monoclinic system, P2 1 /C space group, a = 13.0473(7) Å, b = 12.6191(6) Å, c = 8.1871(4) Å, 𝛼= 90°, β = 106.288(2)°, v = 90 0 and V =1293.86(11) Å 3 . The antibacterial activity of MePhPyC against test bacteria and antifungal activity against test fungi were investigated. The compound was found to possess a broad spectrum of biological activities. The synthesized molecule of MePhPyC showed highest cytotoxicity with IC 50 = 49 μg/mL. In the present study, MePhPyC was found to be efficient against EAC-induced ascites tumor. Adose of 5 mg/kg body weight (bwt) was more effective than the other two concentrations (15 and 10 mg/kg bwt). In both cases of in vitro cytotoxicity and in vivo ascites tumor treatment, MePhPyC suggests its potential use as an anticancer agent.

中文翻译：

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新型吡唑衍生物 N-3,5-三甲基-N苯基-1-H-Pyrazole-1-Carbothioamide 的合成、晶体结构和体外细胞毒性、抗肿瘤和抗菌评价

合成了一种新的 N-3,5-三甲基-N-苯基-1-H-吡唑-1-碳硫酰胺 (MePhPyC) 吡唑分子，并通过元素分析、单晶 X 射线衍射 (XRD) 和质量表征， 1 H NMR、紫外-可见光 (UV-Vis) 和红外光谱技术。XRD数据显示MePhPyC分子在单斜晶系中结晶，P2 1 /C空间群，a = 13.0473(7) Å, b = 12.6191(6) Å, c = 8.1871(4) Å, 𝛼= 90°, β = 106.288(2)°, v = 90 0 和 V =1293.86(11) Å 3 。研究了 MePhPyC 对受试细菌的抗菌活性和对受试真菌的抗真菌活性。发现该化合物具有广谱的生物活性。合成的 MePhPyC 分子显示出最高的细胞毒性，IC 50 = 49 μg/mL。在目前的研究中，发现 MePhPyC 对 EAC 诱导的腹水肿瘤有效。5 毫克/公斤体重 (bwt) 的剂量比其他两种浓度 (15 和 10 毫克/公斤体重) 更有效。在体外细胞毒性和体内腹水肿瘤治疗的两种情况下，MePhPyC 表明其作为抗癌剂的潜在用途。