3-Methyl-1-Phenyl-4-(Piperidinomethylene)-2-Pyrazolin-5-One
[CAS# 5496-04-8]

Identification

• Name: 3-Methyl-1-Phenyl-4-(Piperidinomethylene)-2-Pyrazolin-5-One
• Synonyms: (4E)-5-Methyl-2-Phenyl-4-(Piperidin-1-Ylmethylidene)Pyrazol-3-One; 5-Methyl-2-Phenyl-4-(1-Piperidylmethylene)Pyrazol-3-One; (4E)-5-Methyl-2-Phenyl-4-(1-Piperidylmethylene)Pyrazol-3-One
• Molecular Formula: C₁₆H₁₉N₃O
• Molecular Weight: 269.35
• CAS Registry Number: 5496-04-8
• SMILES: C3=C(N1C(/C(C(=N1)C)=C/N2CCCCC2)=O)C=CC=C3
• InChI: 1S/C16H19N3O/c1-13-15(12-18-10-6-3-7-11-18)16(20)19(17-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b15-12+
• InChIKey: CPRWWCPKEGAJNJ-NTCAYCPXSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 375.536°C at 760 mmHg (Cal.)
• Flash point: 180.918°C (Cal.)