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

• ChemBase ID: 309611
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: c1(c(n[nH]c1)O)C
• Canonical SMILES: Cc1c[nH]nc1O
• InChI: InChI=1S/C4H6N2O/c1-3-2-5-6-4(3)7/h2H,1H3,(H2,5,6,7)
• InChIKey: TYWCCQQJFXUKRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H-pyrazol-3-ol
• IUPAC Traditional name: 4-methyl-1H-pyrazol-3-ol
• Synonyms: 4-methyl-1H-pyrazol-3-ol

Database IDs

• CAS Number: 13315-23-6
• MDL Number: MFCD00003093

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0807436
• LogD (pH = 7.4): 1.0103972
• Log P: 1.0817434
• Molar Refractivity: 27.081 cm^3
• Polarizability: 9.5376 Å^3
• Polar Surface Area: 48.91 Å^2