N(1)-Isonicotinoyl-3-Methyl-4-(4-Hydroxybenzilidene)-2-Pyrazolin-5-One
[CAS# 103847-83-2]

Identification

• Name: N(1)-Isonicotinoyl-3-Methyl-4-(4-Hydroxybenzilidene)-2-Pyrazolin-5-One
• Synonyms: 5-Methyl-4-[(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-[Oxo-(4-Pyridyl)Methyl]-1H-Pyrazol-3-One; 4-[(4-Keto-1-Cyclohexa-2,5-Dienylidene)Methyl]-5-Methyl-2-(Pyridine-4-Carbonyl)-1H-Pyrazol-3-One; 5-Methyl-4-[(4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Pyridin-4-Ylcarbonyl-1H-Pyrazol-3-One
• Molecular Formula: C₁₇H₁₃N₃O₃
• Molecular Weight: 307.31
• CAS Registry Number: 103847-83-2
• SMILES: C3=C(C(=O)N1NC(=C(C1=O)C=C2C=CC(=O)C=C2)C)C=CN=C3
• InChI: 1S/C17H13N3O3/c1-11-15(10-12-2-4-14(21)5-3-12)17(23)20(19-11)16(22)13-6-8-18-9-7-13/h2-10,19H,1H3
• InChIKey: CNDMQQHLPNOISH-UHFFFAOYSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 471.545°C at 760 mmHg (Cal.)
• Flash point: 238.982°C (Cal.)