2-(3-methyl-1H-pyrazol-5-yl)acetohydrazide

• ChemBase ID: 252108
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1[nH]c(cc1C)CC(=O)NN
• Canonical SMILES: Cc1cc([nH]n1)CC(=O)NN
• InChI: InChI=1S/C6H10N4O/c1-4-2-5(10-9-4)3-6(11)8-7/h2H,3,7H2,1H3,(H,8,11)(H,9,10)
• InChIKey: WPHFQZQZJWGICL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-1H-pyrazol-5-yl)acetohydrazide
• IUPAC Traditional name: 2-(5-methyl-2H-pyrazol-3-yl)acetohydrazide
• Synonyms: 2-(3-methyl-1H-pyrazol-5-yl)acetohydrazide

Database IDs

• MDL Number: MFCD07852053
• PubChem SID: 164308018
• PubChem CID: 9118364

CALCULATED PROPERTIES

• Acid pKa: 12.328423
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.1398864
• LogD (pH = 7.4): -1.1369117
• Log P: -1.136869
• Molar Refractivity: 41.8283 cm^3
• Polarizability: 15.255303 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): -1.488

Product Information

• Purity: 95%