Crystal structure and molecular docking studies of new pyrazole-4-carboxamides-Reference-Cited by-同舟云学术

Crystal structure and molecular docking studies of new pyrazole-4-carboxamides

Published:2019-05-11 Issue:1 Volume:25 Page:66-72
ISSN:2191-0197
Container-title:Heterocyclic Communications
language:
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Author:

Qiao Li¹,Cai Peng-Peng¹,Shen Zhong-Hua¹,Wu Hong-Ke¹,Tan Cheng-Xia¹,Weng Jian-Quan¹,Liu Xing-Hai¹²

Affiliation:

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

2. Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Guiyang550025, China

Abstract

AbstractTwo pyrazol-4-carboxamides, 3-(difluoromethyl)-N-(mesitylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxa-mide (7a) and 3-(difluoromethyl)-N-((3,5-dimethylphenyl) carbamoyl)-1-methyl-1H-pyrazole-4-carboxamide (7b) were synthesized and their structures were confirmed by the aid of 1H NMR and HRMS analyses. The structure of the pyrazole-4-carboxamide, 7a was also determined by X-ray diffraction. The preliminary activity results demonstrate that these two compounds exhibit good inhibitory activity against Botrytis cinerea. Further docking results indicated that the key active group is difluoromethyl pyrazole moiety.

Publisher

Walter de Gruyter GmbH

Subject

Organic Chemistry

Link

https://www.degruyter.com/document/doi/10.1515/hc-2019-0012/pdf

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