HCID645544

5-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C16H16F3N3O4371.31 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)O)cc3N2)cc1OC
InChIKey: CXVCWEZBTNWVKX-UHFFFAOYSA-N
分子式: C16H16F3N3O4
平均分子量: 371.31 g/mol
单同位素质量: 371.10929049

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 85.6 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 4
重原子: 26
形式电荷: 0
复杂度: 521

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 23 条

5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acidSMR000010779332853-67-5CEHHEVZOABKRDA-UHFFFAOYSA-N5-(3,4-Dimethoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acidCBMicro_014454MLS000026978MLS001385260CHEMBL1339251SCHEMBL15560577HMS2396B19SMSF0013226STK343389AKOS000559926AKOS022070051ST056612BIM-0014542.P001DB-397393AK-968/15359831SR-01000436840

REACTIONS

参与反应

2 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09446046B2

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uspto-grants-2015_09 · 10.6084/m9.figshare.5104873.v1 · US09126999B2

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