4,5,6,7-tetrahydro-1H-indazol-3-ol

• ChemBase ID: 118644
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c12c(n[nH]c1CCCC2)O
• Canonical SMILES: Oc1n[nH]c2c1CCCC2
• InChI: InChI=1S/C7H10N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H2,(H2,8,9,10)
• InChIKey: UFNPJQRQWKZJNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,6,7-tetrahydro-1H-indazol-3-ol
• IUPAC Traditional name: 4,5,6,7-tetrahydro-1H-indazol-3-ol
• Synonyms: 4,5,6,7-tetrahydro-1H-indazol-3-ol

Database IDs

• MDL Number: MFCD06735763
• PubChem SID: 162099217
• PubChem CID: 815678

CALCULATED PROPERTIES

• Acid pKa: 8.253704
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7838739
• LogD (pH = 7.4): 1.7289238
• Log P: 1.7846699
• Molar Refractivity: 39.5535 cm^3
• Polarizability: 14.2363825 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.608

Product Information

• Purity: 95+%