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

• ChemBase ID: 58521
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1(cccn1)C(C)C(=O)NN
• Canonical SMILES: NNC(=O)C(n1cccn1)C
• InChI: InChI=1S/C6H10N4O/c1-5(6(11)9-7)10-4-2-3-8-10/h2-5H,7H2,1H3,(H,9,11)
• InChIKey: QIUVUXJDIFSGNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-pyrazol-1-yl)propanehydrazide
• IUPAC Traditional name: 2-(pyrazol-1-yl)propanehydrazide
• Synonyms: 2-(1H-Pyrazol-1-yl)propanohydrazide

Database IDs

• CAS Number: 1217862-45-7
• MDL Number: MFCD15146488
• PubChem SID: 162063284
• PubChem CID: 46318340

CALCULATED PROPERTIES

• Acid pKa: 12.130752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6589052
• LogD (pH = 7.4): -0.65561485
• Log P: -0.6555649
• Molar Refractivity: 51.8462 cm^3
• Polarizability: 15.332806 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