2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol

C25H19ClF4N2O — CID 59632167

IUPAC2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H19ClF4N2O/c1-24(2,33)23-14-22(32(31-23)21-6-4-3-5-19(21)26)16-9-7-15(8-10-16)17-11-12-20(27)18(13-17)25(28,29)30/h3-14,33H,1-2H3
InChIKeyFCLNUSKOAULDME-UHFFFAOYSA-N
MW474.89 g/mol
LogP7.24
Rot. Bonds4

About 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632167) has the molecular formula C25H19ClF4N2O and a molecular weight of 474.89 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
PubChem CID59632167
Molecular FormulaC25H19ClF4N2O
Molecular Weight474.89 g/mol
Exact Mass474.11
IUPAC Name2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H19ClF4N2O/c1-24(2,33)23-14-22(32(31-23)21-6-4-3-5-19(21)26)16-9-7-15(8-10-16)17-11-12-20(27)18(13-17)25(28,29)30/h3-14,33H,1-2H3
InChIKeyFCLNUSKOAULDME-UHFFFAOYSA-N
XLogP7.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.89
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol (CID 59632167) is 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
The InChIKey is FCLNUSKOAULDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF4N2O/c1-24(2,33)23-14-22(32(31-23)21-6-4-3-5-19(21)26)16-9-7-15(8-10-16)17-11-12-20(27)18(13-17)25(28,29)30/h3-14,33H,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol has a molecular weight of 474.89 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).