3-(4-Ethyl-3,5-Dimethyl-1H-Pyrazol-1-Yl)-3-Oxopropanenitrile
[CAS# 477709-76-5]

Identification

• Name: 3-(4-Ethyl-3,5-Dimethyl-1H-Pyrazol-1-Yl)-3-Oxopropanenitrile
• Synonyms: 3-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile; MFCD02082820; ZINC04060764
• Molecular Formula: C₁₀H₁₃N₃O
• Molecular Weight: 191.23
• CAS Registry Number: 477709-76-5
• SMILES: O=C(n1nc(c(c1C)CC)C)CC#N
• InChI: 1S/C10H13N3O/c1-4-9-7(2)12-13(8(9)3)10(14)5-6-11/h4-5H2,1-3H3
• InChIKey: CXSHJAKATNVMKG-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Melting point: 72-74°C (Expl.)
• Boiling point: 357.148°C at 760 mmHg (Cal.)
• Flash point: 169.798°C (Cal.)
• Refractive index: 1.556 (Cal.)