HCID59598366

methyl 1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-pyrazole-4-carboxylate

methyl 1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate

C17H21N3O3315.37 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1c(CN2CCCC2)n(C)n(-c2ccccc2)c1=O
InChIKey: UDTDRFZCCNHENW-UHFFFAOYSA-N
分子式: C17H21N3O3
平均分子量: 315.37 g/mol
单同位素质量: 315.15829154

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 53.1 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 23
形式电荷: 0
复杂度: 505

ALIASES

名称与别名

共 5 条

913375-93-6SCHEMBL198925UDTDRFZCCNHENW-UHFFFAOYSA-NDA-01099methyl 1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-pyrazole-4-carboxylate

REACTIONS

参与反应

4 条

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088794B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07858623B2

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uspto-grants-2014_04 · 10.6084/m9.figshare.5104873.v1 · US08685983B2

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