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

• ChemBase ID: 308134
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: n1(ncc(c1)C)C(CO)C
• Canonical SMILES: CC(n1cc(cn1)C)CO
• InChI: InChI=1S/C7H12N2O/c1-6-3-8-9(4-6)7(2)5-10/h3-4,7,10H,5H2,1-2H3
• InChIKey: AUUUPYVGFWEOJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177277-83-6
• MDL Number: MFCD11505284

CALCULATED PROPERTIES

• Polar Surface Area: 38.05 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6408893
• LogD (pH = 7.4): 0.64099884
• Log P: 0.6410003
• Molar Refractivity: 50.7137 cm^3
• Polarizability: 14.969194 Å^3