5-Isobutyl-4-Methyl-1,2-Dihydro-3H-Pyrazol-3-One
[CAS# 205813-75-8]

Identification

• Name: 5-Isobutyl-4-Methyl-1,2-Dihydro-3H-Pyrazol-3-One
• Synonyms: 5-isobutyl-4-methyl-1H-pyrazol-3(2H)-one
• Molecular Formula: C₈H₁₄N₂O
• Molecular Weight: 154.21
• CAS Registry Number: 205813-75-8
• SMILES: O=C1\C(=C(/NN1)CC(C)C)C
• InChI: 1S/C8H14N2O/c1-5(2)4-7-6(3)8(11)10-9-7/h5H,4H2,1-3H3,(H2,9,10,11)
• InChIKey: XNWVCQKDIYYRRN-UHFFFAOYSA-N

Properties

• Density: 0.979g/cm³ (Cal.)
• Refractive index: 1.465 (Cal.)