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

• ChemBase ID: 71791
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: n1(cccn1)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1cccn1
• InChI: InChI=1S/C5H8N4O/c6-8-5(10)4-9-3-1-2-7-9/h1-3H,4,6H2,(H,8,10)
• InChIKey: NJBHEQPBKPVVCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 934175-49-2
• MDL Number: MFCD04969829
• PubChem SID: 162037173
• PubChem CID: 17024596

CALCULATED PROPERTIES

• Acid pKa: 12.022597
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2277238
• LogD (pH = 7.4): -1.224382
• Log P: -1.2243291
• Molar Refractivity: 47.3523 cm^3
• Polarizability: 13.506409 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT