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

• ChemBase ID: 230555
• Molecular Formular: C16H14N4O
• Molecular Mass: 278.30856
• Monoisotopic Mass: 278.11676109
• SMILES: c1(n(nc(c1)c1ccccc1)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nn1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H14N4O/c17-18-16(21)15-11-14(12-7-3-1-4-8-12)19-20(15)13-9-5-2-6-10-13/h1-11H,17H2,(H,18,21)
• InChIKey: YYENULVFQZUKFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diphenyl-1H-pyrazole-5-carbohydrazide
• IUPAC Traditional name: 2,5-diphenylpyrazole-3-carbohydrazide
• Synonyms: 2,5-Diphenyl-2H-pyrazole-3-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD01134758
• PubChem SID: 164286465
• PubChem CID: 680646

CALCULATED PROPERTIES

• Acid pKa: 14.121389
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5655105
• LogD (pH = 7.4): 2.5662956
• Log P: 2.5663056
• Molar Refractivity: 82.6239 cm^3
• Polarizability: 32.664436 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.895

Product Information

• Purity: 95%