1,5-dimethyl-1H-pyrazole-4-carbohydrazide

• ChemBase ID: 58603
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(c(cnn1C)C(=O)NN)C
• Canonical SMILES: Cc1c(cnn1C)C(=O)NN
• InChI: InChI=1S/C6H10N4O/c1-4-5(6(11)9-7)3-8-10(4)2/h3H,7H2,1-2H3,(H,9,11)
• InChIKey: GDRWITBMTJYLTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-1H-pyrazole-4-carbohydrazide
• IUPAC Traditional name: 1,5-dimethylpyrazole-4-carbohydrazide
• Synonyms: 1,5-Dimethyl-1H-pyrazole-4-carbohydrazide

Database IDs

• CAS Number: 864948-68-5
• MDL Number: MFCD03423256
• PubChem SID: 162063366
• PubChem CID: 19618212

CALCULATED PROPERTIES

• Acid pKa: 13.222854
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8459311
• LogD (pH = 7.4): -0.84517837
• Log P: -0.8451682
• Molar Refractivity: 53.6736 cm^3
• Polarizability: 14.9825325 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