2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ol

• ChemBase ID: 121840
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c12c([nH]nc1CCC2)O
• Canonical SMILES: Oc1[nH]nc2c1CCC2
• InChI: InChI=1S/C6H8N2O/c9-6-4-2-1-3-5(4)7-8-6/h1-3H2,(H2,7,8,9)
• InChIKey: SACPALZHGDYLNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ol
• IUPAC Traditional name: 2H,4H,5H,6H-cyclopenta[c]pyrazol-3-ol
• Synonyms: 2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ol

Database IDs

• PubChem SID: 162216193
• PubChem CID: 778682

CALCULATED PROPERTIES

• Acid pKa: 6.062966
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.84085786
• LogD (pH = 7.4): -0.2590836
• Log P: 0.944757
• Molar Refractivity: 33.437 cm^3
• Polarizability: 12.406205 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true