1-ethyl-1H-pyrazole-3-carbohydrazide

• ChemBase ID: 27331
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(nn(cc1)CC)C(=O)NN
• Canonical SMILES: CCn1ccc(n1)C(=O)NN
• InChI: InChI=1S/C6H10N4O/c1-2-10-4-3-5(9-10)6(11)8-7/h3-4H,2,7H2,1H3,(H,8,11)
• InChIKey: FISKYJZRFJOKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-pyrazole-3-carbohydrazide
• IUPAC Traditional name: 1-ethylpyrazole-3-carbohydrazide
• Synonyms: 1-Ethyl-1H-pyrazole-3-carbohydrazide

Database IDs

• CAS Number: 1006334-35-5
• MDL Number: MFCD03423247
• PubChem SID: 160990638
• PubChem CID: 19616932

CALCULATED PROPERTIES

• Acid pKa: 13.650635
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.30263266
• LogD (pH = 7.4): -0.30207855
• Log P: -0.30207124
• Molar Refractivity: 52.9005 cm^3
• Polarizability: 15.060391 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