Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives

Molecules

Na-Bo Sun¹  Yan-Xia Shi²  Bao-Ju Li²  Jin-Xia Mu³  Zhao-Hui Sun⁴  Ming-Yan Yang⁴  Xing-Hai Liu⁴ 

[1] College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310015, China;College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China;Department of Environmental Engineering, China Jiliang University, Hangzhou 310018, China;Institute of Vegetables and Flowers, Chinese Academy of Agricultural Sciences, Beijing 100014, China;

关键词: pyrazole;    DFT;    synthesis;    antifungal activity;    SAR;   

DOI  :  10.3390/molecules21010068

来源: DOAJ

【 摘 要 】

A series of novel pyrazole amide derivatives were designed and synthesized by multi-step reactions from phenylhydrazine and ethyl 3-oxobutanoate as starting materials, and their structures were characterized by NMR, MS and elemental analysis. The antifungal activity of the title compounds was determined. The results indicated that some of title compounds exhibited moderate antifungal activity. Furthermore, DFT calculations were used to study the structure-activity relationships (SAR).

【 授权许可】

Unknown