1-ethyl-1H-pyrazole-4-carbohydrazide

• ChemBase ID: 58600
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1c(cnn1CC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnn(c1)CC
• InChI: InChI=1S/C6H10N4O/c1-2-10-4-5(3-8-10)6(11)9-7/h3-4H,2,7H2,1H3,(H,9,11)
• InChIKey: SNZPIIOFDLASCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-pyrazole-4-carbohydrazide
• IUPAC Traditional name: 1-ethylpyrazole-4-carbohydrazide
• Synonyms: 1-Ethyl-1H-pyrazole-4-carbohydrazide

Database IDs

• CAS Number: 512809-51-7
• MDL Number: MFCD03419413
• PubChem SID: 162063363
• PubChem CID: 5054020

CALCULATED PROPERTIES

• Acid pKa: 12.868048
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.68861806
• LogD (pH = 7.4): -0.68793166
• Log P: -0.6879216
• Molar Refractivity: 53.2725 cm^3
• Polarizability: 15.056261 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false