1-methyl-1H-pyrazol-3-ol

• ChemBase ID: 288486
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: Oc1nn(C)cc1
• Canonical SMILES: Cn1ccc(n1)O
• InChI: InChI=1S/C4H6N2O/c1-6-3-2-4(7)5-6/h2-3H,1H3,(H,5,7)
• InChIKey: WIISOYLZJJYTHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-pyrazol-3-ol
• IUPAC Traditional name: 1-methylpyrazol-3-ol
• Synonyms: 1-Methyl-1H-pyrazol-3-ol

Database IDs

• PubChem SID: 180674017
• PubChem CID: 11423563

CALCULATED PROPERTIES

• Acid pKa: 8.176604
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6910874
• LogD (pH = 7.4): 0.62625617
• Log P: 0.69199806
• Molar Refractivity: 37.2558 cm^3
• Polarizability: 9.533627 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%