(1R,2R)-2-(1H-pyrazol-1-yl)cyclopentan-1-ol

• ChemBase ID: 268902
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1(nccc1)[C@H]1[C@H](O)CCC1
• Canonical SMILES: O[C@@H]1CCC[C@H]1n1cccn1
• InChI: InChI=1S/C8H12N2O/c11-8-4-1-3-7(8)10-6-2-5-9-10/h2,5-8,11H,1,3-4H2/t7-,8-/m1/s1
• InChIKey: BOKRXYSLZWESBK-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(1H-pyrazol-1-yl)cyclopentan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(pyrazol-1-yl)cyclopentan-1-ol
• Synonyms: trans-2-(1H-pyrazol-1-yl)cyclopentan-1-ol

Database IDs

• MDL Number: MFCD16817451
• PubChem SID: 164324812
• PubChem CID: 50990000

CALCULATED PROPERTIES

• Acid pKa: 14.454629
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.680784
• LogD (pH = 7.4): 0.6809026
• Log P: 0.68090415
• Molar Refractivity: 52.7361 cm^3
• Polarizability: 16.160383 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.408

Product Information

• Purity: 95%