1,3-dimethyl-1H-pyrazole-4-carbohydrazide

• ChemBase ID: 33849
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(c(nn(c1)C)C)C(=O)NN
• Canonical SMILES: Cc1nn(cc1C(=O)NN)C
• InChI: InChI=1S/C6H10N4O/c1-4-5(6(11)8-7)3-10(2)9-4/h3H,7H2,1-2H3,(H,8,11)
• InChIKey: YVHSEIOJPHRUIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1H-pyrazole-4-carbohydrazide
• IUPAC Traditional name: 1,3-dimethylpyrazole-4-carbohydrazide
• Synonyms: 1,3-Dimethyl-1H-pyrazole-4-carbohydrazide

Database IDs

• MDL Number: MFCD03419412
• PubChem SID: 160997156
• PubChem CID: 4188482

CALCULATED PROPERTIES

• Acid pKa: 12.946539
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9141695
• LogD (pH = 7.4): -0.91337067
• Log P: -0.91335934
• Molar Refractivity: 53.1154 cm^3
• Polarizability: 14.980959 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