基本情報
- 標準SMILES
Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1CC(C)(C)O- InChIKey
JFOCTAMIXFTZBB-UHFFFAOYSA-N- 分子式
- C15H18N2O4
- 平均分子量
- 290.31 g/mol
- 単同位体質量
- 290.12665706
名称と識別子
- 優先名称
- 1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid
- IUPAC
- 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid
名称と別名
913376-56-41-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic AcidMFCD171713811-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxylic acid1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acidSCHEMBL200546JFOCTAMIXFTZBB-UHFFFAOYSA-NAKOS0159039511-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylicAcidCS-11221SY010459DB-078992
名称をさらに表示
CS-0315408F3870621-(2-hydroxy-2-methyl-propyl)-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxylic acid1-(2-hydroxy-2-methyl-propyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid, SureCN200546, CTK8E1584, AKOS015903951, KB-108976, I14-17681, 913376-56-41-(2-hydroxy-2-methylpropyl)5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid
データベース識別子
- PubChem CID
- 53393430
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 81.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 478
関連反応
20 件
化合物ノート
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