Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide DerivativesReport as inadecuate




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1

Department of Environmental Engineering, China Jiliang University, Hangzhou 310018, China

2

College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310014, China

3

Institute of Vegetables and Flowers, Chinese Academy of Agricultural Sciences, Beijing 100014, China

4

College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310015, China



These authors contributed equally to this work.





*

Authors to whom correspondence should be addressed.



Academic Editors: Shufeng Zhou and Wei-Zhu Zhong

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. View Full-Text

Keywords: pyrazole; DFT; synthesis; antifungal activity; SAR pyrazole; DFT; synthesis; antifungal activity; SAR





Author: Jin-Xia Mu 1,†,* , Yan-Xia Shi 2,†, Ming-Yan Yang 3, Zhao-Hui Sun 3, Xing-Hai Liu 3,* , Bao-Ju Li 2,* and Na-Bo Sun 4

Source: http://mdpi.com/



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