HCID57632309

1-(4-Benzyl-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-2-(4-methylphenyl)-1-propanone

1-(4-benzyl-7,7-dimethyl-5-phenyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-2-(4-methylphenyl)propan-1-one

C32H35N3O477.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(C(C)(C)C(=O)c2cnn3c2N(Cc2ccccc2)C(c2ccccc2)CC3(C)C)cc1
InChIKey: AIOGPPYFWKAOCG-UHFFFAOYSA-N
分子式: C32H35N3O
平均分子量: 477.6 g/mol
单同位素质量: 477.27801275

COMPUTED

结构计算性质

已同步

XLogP: 6.9
极性表面积: 38.1 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 742

ALIASES

名称与别名

共 3 条

SCHEMBL3989168AIOGPPYFWKAOCG-UHFFFAOYSA-N1-(4-Benzyl-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-methyl-2-(4-methylphenyl)-1-propanone

REACTIONS

参与反应

3 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID63765

uspto-grants-2016_09

作为反应物

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447100B2

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HRID2108575

uspto-grants-2009_04

作为反应物

uspto-grants-2009_04 · 10.6084/m9.figshare.5104873.v1 · US07514441B2

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HRID2145428

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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