2-(4-methyl-1H-pyrazol-1-yl)propanehydrazide

• ChemBase ID: 59137
• Molecular Formular: C7H12N4O
• Molecular Mass: 168.19638
• Monoisotopic Mass: 168.10111102
• SMILES: n1cc(cn1C(C(=O)NN)C)C
• Canonical SMILES: CC(n1cc(cn1)C)C(=O)NN
• InChI: InChI=1S/C7H12N4O/c1-5-3-9-11(4-5)6(2)7(12)10-8/h3-4,6H,8H2,1-2H3,(H,10,12)
• InChIKey: WEHLEXUDQFKQLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1H-pyrazol-1-yl)propanehydrazide
• IUPAC Traditional name: 2-(4-methylpyrazol-1-yl)propanehydrazide
• Synonyms: 2-(4-Methyl-1H-pyrazol-1-yl)propanohydrazide

Database IDs

• MDL Number: MFCD03419651
• PubChem SID: 162063900
• PubChem CID: 17024800

CALCULATED PROPERTIES

• Acid pKa: 12.293727
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.14547473
• LogD (pH = 7.4): -0.14219089
• Log P: -0.14214349
• Molar Refractivity: 56.8874 cm^3
• Polarizability: 17.088425 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false