6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol

C13H13FN2O — CID 66489168

IUPAC6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESOC1CC(c2ccc(F)cc2)Cc2[nH]ncc21
InChIInChI=1S/C13H13FN2O/c14-10-3-1-8(2-4-10)9-5-12-11(7-15-16-12)13(17)6-9/h1-4,7,9,13,17H,5-6H2,(H,15,16)
InChIKeyLTCOYNNCHWPNEU-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.31
Rot. Bonds1

About 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol

6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 66489168) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID66489168
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESOC1CC(c2ccc(F)cc2)Cc2[nH]ncc21
InChIInChI=1S/C13H13FN2O/c14-10-3-1-8(2-4-10)9-5-12-11(7-15-16-12)13(17)6-9/h1-4,7,9,13,17H,5-6H2,(H,15,16)
InChIKeyLTCOYNNCHWPNEU-UHFFFAOYSA-N
XLogP2.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 95165425
(5-propan-2-yl-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 69730789
(1S)-1-[5-(4,5-difluoro-2-methylphenyl)-1H-pyrazol-4-yl]ethanol
CID 70853857
cyclohexyl-(5-fluoro-1H-indazol-7-yl)methanol
CID 134373398
1-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]ethanol
CID 145847045
[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol
CID 155026499
(3,5-difluorophenyl)-(5-ethyl-1H-pyrazol-4-yl)methanol
CID 174709726
3-[(4aR,5R)-4a-methyl-1,4,5,6,7,8-hexahydrobenzo[f]indazol-5-yl]-1-(4-fluorophenyl)propan-1-ol
CID 16066162
[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
CID 25219175
6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489189
6-(4-Fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 66489345
(2-fluorophenyl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanol
CID 80121451

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 66489168) is 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is OC1CC(c2ccc(F)cc2)Cc2[nH]ncc21.
What is the InChIKey of 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is LTCOYNNCHWPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-3-1-8(2-4-10)9-5-12-11(7-15-16-12)13(17)6-9/h1-4,7,9,13,17H,5-6H2,(H,15,16).
What are the key properties of 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol?
6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 232.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 66489168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).