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

C25H20ClF3N2O — CID 59632168

IUPAC2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H20ClF3N2O/c1-24(2,32)23-15-22(31(30-23)21-9-4-3-8-20(21)26)17-12-10-16(11-13-17)18-6-5-7-19(14-18)25(27,28)29/h3-15,32H,1-2H3
InChIKeyIZFSPVSBVINKQV-UHFFFAOYSA-N
MW456.90 g/mol
LogP7.11
Rot. Bonds4

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

2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol (PubChem CID 59632168) has the molecular formula C25H20ClF3N2O and a molecular weight of 456.90 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
PubChem CID59632168
Molecular FormulaC25H20ClF3N2O
Molecular Weight456.90 g/mol
Exact Mass456.12
IUPAC Name2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H20ClF3N2O/c1-24(2,32)23-15-22(31(30-23)21-9-4-3-8-20(21)26)17-12-10-16(11-13-17)18-6-5-7-19(14-18)25(27,28)29/h3-15,32H,1-2H3
InChIKeyIZFSPVSBVINKQV-UHFFFAOYSA-N
XLogP7.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 57.11
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-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol (CID 59632168) is 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
The InChIKey is IZFSPVSBVINKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N2O/c1-24(2,32)23-15-22(31(30-23)21-9-4-3-8-20(21)26)17-12-10-16(11-13-17)18-6-5-7-19(14-18)25(27,28)29/h3-15,32H,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol has a molecular weight of 456.90 g/mol, XLogP of 7.11, 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-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).