design, synthesis, dft study and antifungal activity of pyrazolecarboxamide derivatives

design, synthesis, dft study and antifungal activity of pyrazolecarboxamide derivatives

;Jin-Xia Mu;Yan-Xia Shi;Ming-Yan Yang;Zhao-Hui Sun;Xing-Hai Liu;Bao-Ju Li;Na-Bo Sun
Journal of ethnopharmacology 2016 Vol. 21 pp. 68-
457
mu2016moleculesdesign,

Abstract

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).

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254227
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10.3390/molecules21010068
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