3-[3,5-Dimethyl-1-(Phenylmethyl)Pyrazol-4-Yl]Propionic acid
[CAS# 381679-93-2]

Identification

• Name: 3-[3,5-Dimethyl-1-(Phenylmethyl)Pyrazol-4-Yl]Propionic acid
• Synonyms: 3-[3,5-Dimethyl-1-(Phenylmethyl)-4-Pyrazolyl]Propanoate; 3-[1-(Benzyl)-3,5-Dimethyl-Pyrazol-4-Yl]Propionate; Zinc00279753
• Molecular Formula: C₁₅H₁₇N₂O₂
• Molecular Weight: 257.31
• CAS Registry Number: 381679-93-2
• SMILES: C2=C(C[N]1N=C(C(=C1C)CCC([O-])=O)C)C=CC=C2
• InChI: 1S/C15H18N2O2/c1-11-14(8-9-15(18)19)12(2)17(16-11)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,19)/p-1
• InChIKey: QERVLMFEJQUIMV-UHFFFAOYSA-M

Properties

• Boiling point: 450.786°C at 760 mmHg (Cal.)
• Flash point: 226.427°C (Cal.)