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

• ChemBase ID: 59139
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1cc(cn1CC(=O)NN)C
• Canonical SMILES: Cc1cn(nc1)CC(=O)NN
• InChI: InChI=1S/C6H10N4O/c1-5-2-8-10(3-5)4-6(11)9-7/h2-3H,4,7H2,1H3,(H,9,11)
• InChIKey: GMFBGQRLQKYAPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03419611
• PubChem SID: 162063902
• PubChem CID: 7018408

CALCULATED PROPERTIES

• Acid pKa: 12.215064
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7142924
• LogD (pH = 7.4): -0.71095693
• Log P: -0.71090776
• Molar Refractivity: 52.3935 cm^3
• Polarizability: 15.259129 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