1-Phenyl-3-methyl-4-formyl-5-pyrazolone

HCID 205106CAS 17364-41-9

基本情報

標準SMILES: CC1=NN(c2ccccc2)C(=O)C1C=O
InChIKey: RGDIXYRCPLMSGT-UHFFFAOYSA-N
分子式: C11H10N2O2
平均分子量: 202.21 g/mol
単同位体質量: 202.07422757

名称と識別子

優先名称: 1-Phenyl-3-methyl-4-formyl-5-pyrazolone
IUPAC: 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde

名称と別名

17364-41-9RefChem:10563221-Phenyl-3-methyl-4-formyl-5-pyrazolone3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carbaldehyde3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde4-Formyl-3-methyl-1-phenyl-2-pyrazolin-5-one2-Pyrazolin-5-one, 4-formyl-3-methyl-1-phenyl-SCHEMBL5713339DTXSID00938415RGDIXYRCPLMSGT-UHFFFAOYSA-NAKOS002685282AKOS016054800

名称をさらに表示

CS-00602751-phenyl-3-methyl-4-formyl-4,5-dihydropyrazol-5-one3-methyl-5-oxo-1-phenyl-2-pyrazoline-4-carboaldehyde3-Methyl-5-oxo-1-phenyl-4,5-dihydropyrazole-4-carbaldehyde

データベース識別子

CAS: 17364-41-9
PubChem CID: 205106
DTXSID: DTXSID00938415
Nikkaji: J51.254K

物性

構造計算による物性

XLogP: 1
極性表面積: 49.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 306