2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-ol

• ChemBase ID: 308077
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: n1(nc(cc1C)C)C(CO)C
• Canonical SMILES: OCC(n1nc(cc1C)C)C
• InChI: InChI=1S/C8H14N2O/c1-6-4-7(2)10(9-6)8(3)5-11/h4,8,11H,5H2,1-3H3
• InChIKey: ZLIFVPLSYALZRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-ol
• IUPAC Traditional name: 2-(3,5-dimethylpyrazol-1-yl)propan-1-ol
• Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanol

Database IDs

• CAS Number: 1177336-15-0
• MDL Number: MFCD10686564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4557812
• LogD (pH = 7.4): 0.4584759
• Log P: 0.45851037
• Molar Refractivity: 55.4137 cm^3
• Polarizability: 16.72623 Å^3
• Polar Surface Area: 38.05 Å^2