HCID11612277

[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide

N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide

C24H25F3N4O2458.5 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCCN1CCCC1
InChIKey: UAVPDLMEWXPRFE-UHFFFAOYSA-N
分子式: C24H25F3N4O2
平均分子量: 458.5 g/mol
单同位素质量: 458.19296054

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 59.4 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 644

ALIASES

名称与别名

共 5 条

CHEMBL1085155[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamideSCHEMBL1165526BDBM50319414N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide

REACTIONS

参与反应

2 条

uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07884101B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08785441B2

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