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

文献类型： 外文期刊

第一作者： Mu, Jin-Xia

作者： Mu, Jin-Xia;Shi, Yan-Xia;Li, Bao-Ju;Yang, Ming-Yan;Sun, Zhao-Hui;Liu, Xing-Hai;Sun, Na-Bo

作者机构：

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

期刊名称：MOLECULES （ 影响因子：4.411； 五年影响因子：4.587 ）

ISSN：

年卷期：

页码：

收录情况： SCI

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).

分类号： O62

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