2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol

C23H25FN2O — CID 66919610

IUPAC2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
SMILESCC1Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CC(O)c1ccccc1
InChIInChI=1S/C23H25FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)13-23(16,2)14-22(27)17-6-4-3-5-7-17/h3-11,15-16,22,27H,12-14H2,1-2H3/t16?,22?,23-/m0/s1
InChIKeyZKBWJSFTIGPBFL-AWYJXPRZSA-N
MW364.46 g/mol
LogP4.88
Rot. Bonds4

About 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol

2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol (PubChem CID 66919610) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
PubChem CID66919610
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
SMILESCC1Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CC(O)c1ccccc1
InChIInChI=1S/C23H25FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)13-23(16,2)14-22(27)17-6-4-3-5-7-17/h3-11,15-16,22,27H,12-14H2,1-2H3/t16?,22?,23-/m0/s1
InChIKeyZKBWJSFTIGPBFL-AWYJXPRZSA-N
XLogP4.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5R)-1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol
CID 15605439
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
1-[1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-indazol-5-yl]-3-methyl-3-phenylbutan-1-ol
CID 66919444
2-[1-(4-fluorophenyl)-4a-methyl-5-(2-methylpropoxymethyl)-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethanol
CID 91192428
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
CID 66919437
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
CID 66919562
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
CID 66919542
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 66919344
2-[4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 142819633
(1R)-2-[(5R)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 142819570

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
The IUPAC name of 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol (CID 66919610) is 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
The canonical SMILES for 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol is CC1Cc2c(cnn2-c2ccc(F)cc2)C[C@@]1(C)CC(O)c1ccccc1.
What is the InChIKey of 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
The InChIKey is ZKBWJSFTIGPBFL-AWYJXPRZSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)13-23(16,2)14-22(27)17-6-4-3-5-7-17/h3-11,15-16,22,27H,12-14H2,1-2H3/t16?,22?,23-/m0/s1.
What are the key properties of 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol?
2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol has a molecular weight of 364.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-6,7-dihydro-4H-indazol-5-yl]-1-phenylethanol is sourced from PubChem (CID 66919610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).