4-hydroxy-1-phenyl-1H-pyrazole-3-carbohydrazide

• ChemBase ID: 234416
• Molecular Formular: C10H10N4O2
• Molecular Mass: 218.212
• Monoisotopic Mass: 218.08037558
• SMILES: c1(nn(cc1O)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1nn(cc1O)c1ccccc1
• InChI: InChI=1S/C10H10N4O2/c11-12-10(16)9-8(15)6-14(13-9)7-4-2-1-3-5-7/h1-6,15H,11H2,(H,12,16)
• InChIKey: CCQUGXAZKAPLKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-1-phenyl-1H-pyrazole-3-carbohydrazide
• IUPAC Traditional name: 4-hydroxy-1-phenylpyrazole-3-carbohydrazide
• Synonyms: 4-hydroxy-1-phenyl-1H-pyrazole-3-carbohydrazide

Database IDs

• MDL Number: MFCD06357401
• PubChem SID: 164290326
• PubChem CID: 4644032

CALCULATED PROPERTIES

• Acid pKa: 6.6678576
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3112872
• LogD (pH = 7.4): 0.61673564
• Log P: 1.3455139
• Molar Refractivity: 59.5911 cm^3
• Polarizability: 22.294415 Å^3
• Polar Surface Area: 93.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.207

Product Information

• Purity: 95%