3,5-dimethyl-1H-pyrazol-4-ol

• ChemBase ID: 309924
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: n1[nH]c(c(c1C)O)C
• Canonical SMILES: Cc1[nH]nc(c1O)C
• InChI: InChI=1S/C5H8N2O/c1-3-5(8)4(2)7-6-3/h8H,1-2H3,(H,6,7)
• InChIKey: CTXUDADWQSSNSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-1H-pyrazol-4-ol
• IUPAC Traditional name: 3,5-dimethyl-1H-pyrazol-4-ol
• Synonyms: 3,5-dimethyl-1H-pyrazol-4-ol

Database IDs

• CAS Number: 2820-38-4
• MDL Number: MFCD00030421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.30268663
• LogD (pH = 7.4): 0.23480673
• Log P: 0.30479598
• Molar Refractivity: 31.4675 cm^3
• Polarizability: 11.289057 Å^3
• Polar Surface Area: 48.91 Å^2