2-(4-methyl-1H-pyrazol-1-yl)ethan-1-ol

• ChemBase ID: 308153
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1n(cc(c1)C)CCO
• Canonical SMILES: Cc1cn(nc1)CCO
• InChI: InChI=1S/C6H10N2O/c1-6-4-7-8(5-6)2-3-9/h4-5,9H,2-3H2,1H3
• InChIKey: CDUGJIOIHWUWOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1H-pyrazol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(4-methylpyrazol-1-yl)ethanol
• Synonyms: 2-(4-methyl-1H-pyrazol-1-yl)ethanol

Database IDs

• CAS Number: 1006469-41-5
• MDL Number: MFCD06804913

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22430675
• LogD (pH = 7.4): 0.22442375
• Log P: 0.22442526
• Molar Refractivity: 46.2949 cm^3
• Polarizability: 13.13435 Å^3
• Polar Surface Area: 38.05 Å^2