1,5-dimethyl-2-phenyl-4-{[(2H7)propan-2-yl]amino}-2,3-dihydro-1H-pyrazol-3-one

• ChemBase编号: 177345
• 分子式: C14H19N3O
• 平均质量: 245.32016
• 单一同位素质量: 245.15281224
• SMILES: c1(c(n(n(c1=O)c1ccccc1)C)C)NC(C)C
• Canonical SMILES: CC(Nc1c(C)n(n(c1=O)c1ccccc1)C)C
• InChI: InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3
• InChIKey: XOZLRRYPUKAKMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,5-dimethyl-2-phenyl-4-{[(^2H₇)propan-2-yl]amino}-2,3-dihydro-1H-pyrazol-3-one
• IUPAC传统名: 1,5-dimethyl-2-phenyl-4-[(^2H₇)propan-2-ylamino]pyrazol-3-one
• 别名: 1,2-Dihydro-1,5-dimethyl-4-[(1-methylethyl-d7)amino]-2-phenyl-3H-pyrazol-3-one; 4-(Isopropylamino-d7)antipyrine; 1-Phenyl-2,3-dimethyl-4-(isopropyl-d7)aminopyrazolone; 4-(Isopropylamino-d7)phenazone; 4-(Isopropyl-d7)amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one; 4-Mono(isopropyl-d7)amino-1-phenyl-2,3-dimethyl-5-pyrazolone; Isopirina-d7; (Isopropyl-d7)aminophenazone; Isopyrin-d7; Isopyrine-d7; Ramifenazone-d7

登记号

• PubChem SID: 164233255
• PubChem CID: 71751962

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.5408959
• LogD (pH = 7.4): 1.5409296
• Log P: 1.5409299
• 摩尔折射率: 73.9837 cm^3
• 极化性: 27.55366 Å^3
• 极化表面积: 35.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - R110502

Labelled Ramifenazone (R110500). Analgesic, antipyretic, anti-inflammatory.

参考文献

• Tubaro, E., et al.: Arzneim.-Forsch., 20, 1024 (1970)