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

• ChemBase ID: 286234
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c12c([nH]nc1)CCC(C2)O
• Canonical SMILES: OC1CCc2c(C1)cn[nH]2
• InChI: InChI=1S/C7H10N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h4,6,10H,1-3H2,(H,8,9)
• InChIKey: YVLDNKIONGZQBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08447530
• PubChem SID: 180671765
• PubChem CID: 55254748

CALCULATED PROPERTIES

• Acid pKa: 14.8451805
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.106708005
• LogD (pH = 7.4): 0.10705471
• Log P: 0.10705915
• Molar Refractivity: 38.9286 cm^3
• Polarizability: 14.249686 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): -0.584

Product Information

• Purity: 95%