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

• ChemBase ID: 271301
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: n1[nH]ccc1CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1cc[nH]n1
• InChI: InChI=1S/C5H8N4O/c6-8-5(10)3-4-1-2-7-9-4/h1-2H,3,6H2,(H,7,9)(H,8,10)
• InChIKey: SSITUPYZZXZPCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01882863
• PubChem SID: 164327211
• PubChem CID: 4196186

CALCULATED PROPERTIES

• Acid pKa: 12.193961
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.8042266
• LogD (pH = 7.4): -0.80241954
• Log P: -0.80238986
• Molar Refractivity: 36.9873 cm^3
• Polarizability: 13.505284 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): -1.757

Product Information

• Purity: 95%