3-(3,5-Dimethyl-1-Phenyl-1H-Pyrazol-4-Yl)-Propionic Acid
[CAS# 381697-36-5]

Identification

• Name: 3-(3,5-Dimethyl-1-Phenyl-1H-Pyrazol-4-Yl)-Propionic Acid
• Synonyms: 3-(3,5-Dimethyl-1-Phenyl-Pyrazol-4-Yl)Propanoate; 3-(3,5-Dimethyl-1-Phenyl-4-Pyrazolyl)Propanoate; 3-(3,5-Dimethyl-1-Phenyl-Pyrazol-4-Yl)Propionate
• Molecular Formula: C₁₄H₁₅N₂O₂
• Molecular Weight: 243.28
• CAS Registry Number: 381697-36-5
• SMILES: C2=C([N]1N=C(C(=C1C)CCC([O-])=O)C)C=CC=C2
• InChI: 1S/C14H16N2O2/c1-10-13(8-9-14(17)18)11(2)16(15-10)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18)/p-1
• InChIKey: MWQSXCADNTVCPO-UHFFFAOYSA-M

Properties

• Boiling point: 418.049°C at 760 mmHg (Cal.)
• Flash point: 206.629°C (Cal.)