1-methyl-1H-pyrazole-5-carbohydrazide

• ChemBase ID: 27334
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: c1(n(ncc1)C)C(=O)NN
• Canonical SMILES: Cn1nccc1C(=O)NN
• InChI: InChI=1S/C5H8N4O/c1-9-4(2-3-7-9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
• InChIKey: VLWFAOHNVSOWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-pyrazole-5-carbohydrazide
• IUPAC Traditional name: 2-methylpyrazole-3-carbohydrazide
• Synonyms: 1-Methyl-1H-pyrazole-5-carbohydrazide

Database IDs

• CAS Number: 197079-02-0
• MDL Number: MFCD00463985
• PubChem SID: 160990641
• PubChem CID: 7020600

CALCULATED PROPERTIES

• Acid pKa: 13.898933
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1255935
• LogD (pH = 7.4): -1.1247394
• Log P: -1.1247284
• Molar Refractivity: 48.4014 cm^3
• Polarizability: 13.234921 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false