Synthesis, Crystal Structure, Docking and Antifungal Activity of a New Pyrazole Acylurea Compound

摘要

The title compound N-((3,5-dimethylphenyl)carbamoyl)-l-methyl-3-(trifluoromethyl)-lH-pyrazole-4-carboxamide (C15H15F3N4O2) was synthesized,and its structure was confirmed by 1H NMR,H RMS and X-ray diffraction.It crystallizes in the triclinic system,space group P(1) with a =11.7147(5),b =11.7935(5),c =13.6620(5) (A),α =69.755(7)°,β =66.182(6)°,γ =72.100(7)°,Dc =1.423 g/cm3,Z =4,V=1588.88(11) (A)3,the final R =0.0347 and wR =0.1005 for 7171 observed reflections with Ⅰ ＞ 2σ(Ⅰ).The preliminary biological test showed that the title compound has antifungal activities against Fusarium oxysporum,Pseudomonas syringae,Corynespora mazei and Botrytis cinerea at 100 μg/mL as 5.19％,53.50％,88.55％ and 70.62％,respectively.The docking results indicated the hydrogen bonds formed between the compound and SHD.