1H-pyrazol-4-ol

• ChemBase ID: 289827
• Molecular Formular: C3H4N2O
• Molecular Mass: 84.07666
• Monoisotopic Mass: 84.03236276
• SMILES: Oc1c[nH]nc1
• Canonical SMILES: Oc1c[nH]nc1
• InChI: InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)
• InChIKey: KAUABWYBFARJAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-pyrazol-4-ol
• IUPAC Traditional name: 1H-pyrazol-4-ol
• Synonyms: 1H-Pyrazol-4-ol

Database IDs

• CAS Number: 4843-98-5
• PubChem SID: 180675358
• PubChem CID: 119218

CALCULATED PROPERTIES

• Acid pKa: 7.9152975
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.027765753
• LogD (pH = 7.4): -0.1376639
• Log P: -0.026135514
• Molar Refractivity: 21.7263 cm^3
• Polarizability: 7.78881 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%