1-(2-Hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydropyrazole-4-carboxylic Acid

HCID 53393430

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

関連反応

20 件

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