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

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).

SUBMITTER: Mu JX

PROVIDER: S-EPMC6274113 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature

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

Mu Jin-Xia JX Shi Yan-Xia YX Yang Ming-Yan MY Sun Zhao-Hui ZH Liu Xing-Hai XH Li Bao-Ju BJ Sun Na-Bo NB

Molecules (Basel, Switzerland) 20160108 1

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). ...[more]

PMID: 26760990

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