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).

Keywords

• pyrazole
• DFT
• synthesis
• antifungal activity
• SAR