1,5-dimethyl-1H-pyrazole-3-carbohydrazide

• ChemBase ID: 33793
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(nn(c(c1)C)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1nn(c(c1)C)C
• InChI: InChI=1S/C6H10N4O/c1-4-3-5(6(11)8-7)9-10(4)2/h3H,7H2,1-2H3,(H,8,11)
• InChIKey: RIBLRIOBFLNYKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethyl-1H-pyrazole-3-carbohydrazide
• IUPAC Traditional name: 1,5-dimethylpyrazole-3-carbohydrazide
• Synonyms: 1,5-Dimethyl-1H-pyrazole-3-carbohydrazide

Database IDs

• CAS Number: 94447-28-6
• MDL Number: MFCD00221100
• PubChem SID: 160997100
• PubChem CID: 2743273

CALCULATED PROPERTIES

• Acid pKa: 13.7347
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4598918
• LogD (pH = 7.4): -0.45932528
• Log P: -0.45931786
• Molar Refractivity: 53.3016 cm^3
• Polarizability: 14.986208 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