4,5,6,7-tetrahydro-1H-indazol-6-ol

• ChemBase ID: 236421
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c12c(cn[nH]1)CCC(C2)O
• Canonical SMILES: OC1CCc2c(C1)[nH]nc2
• InChI: InChI=1S/C7H10N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h4,6,10H,1-3H2,(H,8,9)
• InChIKey: MZVXLRJQSAHYNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,6,7-tetrahydro-1H-indazol-6-ol
• IUPAC Traditional name: 4,5,6,7-tetrahydro-1H-indazol-6-ol
• Synonyms: 4,5,6,7-tetrahydro-1H-indazol-6-ol

Database IDs

• MDL Number: MFCD22196583
• PubChem SID: 164292331
• PubChem CID: 71695301

CALCULATED PROPERTIES

• Acid pKa: 14.955197
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.03399215
• LogD (pH = 7.4): 0.034261696
• Log P: 0.034265146
• Molar Refractivity: 38.885 cm^3
• Polarizability: 14.249911 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): -0.584

Product Information

• Purity: 95%