1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol

C24H25FN2O — CID 15604892

IUPAC1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C24H25FN2O/c1-17-13-22-18(15-26-27(22)21-11-9-20(25)10-12-21)14-23(17,2)16-24(3,28)19-7-5-4-6-8-19/h4-13,15,28H,14,16H2,1-3H3/t23-,24?/m1/s1
InChIKeyHYHCCHOPMIMSTD-MIHMCVIASA-N
MW376.48 g/mol
LogP5.27
Rot. Bonds4

About 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol

1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol (PubChem CID 15604892) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol
PubChem CID15604892
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C24H25FN2O/c1-17-13-22-18(15-26-27(22)21-11-9-20(25)10-12-21)14-23(17,2)16-24(3,28)19-7-5-4-6-8-19/h4-13,15,28H,14,16H2,1-3H3/t23-,24?/m1/s1
InChIKeyHYHCCHOPMIMSTD-MIHMCVIASA-N
XLogP5.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol (CID 15604892) is 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol?
The InChIKey is HYHCCHOPMIMSTD-MIHMCVIASA-N. The full InChI is InChI=1S/C24H25FN2O/c1-17-13-22-18(15-26-27(22)21-11-9-20(25)10-12-21)14-23(17,2)16-24(3,28)19-7-5-4-6-8-19/h4-13,15,28H,14,16H2,1-3H3/t23-,24?/m1/s1.
What are the key properties of 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol?
1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol has a molecular weight of 376.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 15604892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).