1H-indazol-5-ylmethanol

• ChemBase ID: 65188
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: c1(ccc2[nH]ncc2c1)CO
• Canonical SMILES: OCc1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C8H8N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-4,11H,5H2,(H,9,10)
• InChIKey: UIXLZPHPSJUXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-5-ylmethanol
• IUPAC Traditional name: 1H-indazol-5-ylmethanol
• Synonyms: (1H-Indazol-5-yl)methanol; 5-(Hydroxymethyl)-1H-indazole; (1H-indazol-5-yl)methanol; 1H-Indazole-5-methanol

Database IDs

• CAS Number: 478828-52-3
• MDL Number: MFCD04038636
• PubChem SID: 162030927
• PubChem CID: 1514190

CALCULATED PROPERTIES

• Acid pKa: 13.5289345
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5289382
• LogD (pH = 7.4): 0.52895737
• Log P: 0.5289579
• Molar Refractivity: 42.889 cm^3
• Polarizability: 17.103607 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - I505600

1H-Indazole-5-methanol is an intermediate used in the preparation of novel Curcumin derivatives as β-secretase inhibitors.

REFERENCES

• Pike, C., et al.: Brain Res., 563, 311 (1991)
• Chromy, B., et al.: Biochemistry, 42, 12749 (1991)
• Liu, R., et al.: J. Neurosci. Res., 75, 162 (1991)