6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol

C14H15FN2O — CID 66489189

IUPAC6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(c1ccc(F)cc1)C2
InChIInChI=1S/C14H15FN2O/c1-8-14-12(17-16-8)6-10(7-13(14)18)9-2-4-11(15)5-3-9/h2-5,10,13,18H,6-7H2,1H3,(H,16,17)
InChIKeyCRLNGJPDCGXYIJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.62
Rot. Bonds1

About 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol

6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol (PubChem CID 66489189) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
PubChem CID66489189
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
SMILESCc1[nH]nc2c1C(O)CC(c1ccc(F)cc1)C2
InChIInChI=1S/C14H15FN2O/c1-8-14-12(17-16-8)6-10(7-13(14)18)9-2-4-11(15)5-3-9/h2-5,10,13,18H,6-7H2,1H3,(H,16,17)
InChIKeyCRLNGJPDCGXYIJ-UHFFFAOYSA-N
XLogP2.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethyl-4-phenyl-4,5,6,7-tetrahydro-2hindazole-6-ol
CID 3148951
(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 95165425
1-[3-(2-fluoro-4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]ethanol
CID 67388747
[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850779
[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850882
6-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 66489168
3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 10878517
3-Benzyl-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 57741464
(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethanol
CID 83392864
7-hydroxy-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonitrile
CID 175970670
(4S,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
CID 807031
(4R,6R)-3,6-dimethyl-4-phenyl-2,4,5,7-tetrahydroindazol-6-ol
CID 807035

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol (CID 66489189) is 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol is Cc1[nH]nc2c1C(O)CC(c1ccc(F)cc1)C2.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
The InChIKey is CRLNGJPDCGXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8-14-12(17-16-8)6-10(7-13(14)18)9-2-4-11(15)5-3-9/h2-5,10,13,18H,6-7H2,1H3,(H,16,17).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol?
6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol has a molecular weight of 246.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol is sourced from PubChem (CID 66489189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).