2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide

• ChemBase ID: 33245
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1(nc(cc1)C)CC(=O)NN
• Canonical SMILES: Cc1ccn(n1)CC(=O)NN
• InChI: InChI=1S/C6H10N4O/c1-5-2-3-10(9-5)4-6(11)8-7/h2-3H,4,7H2,1H3,(H,8,11)
• InChIKey: FEIAQNUMUGJOSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(3-methylpyrazol-1-yl)acetohydrazide
• Synonyms: 2-(3-Methyl-1H-pyrazol-1-yl)acetohydrazide

Database IDs

• MDL Number: MFCD03419452
• PubChem SID: 160996552
• PubChem CID: 3682963

CALCULATED PROPERTIES

• Acid pKa: 12.169209
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0971258
• LogD (pH = 7.4): -1.0930187
• Log P: -1.0929589
• Molar Refractivity: 51.9438 cm^3
• Polarizability: 15.256616 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