5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole

C25H17ClF3N3O — CID 59240464

IUPAC5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H17ClF3N3O/c26-21-3-1-2-4-23(21)32-19(14-24(31-32)25(27,28)29)15-33-20-8-5-16(6-9-20)17-7-10-22-18(13-17)11-12-30-22/h1-14,30H,15H2
InChIKeyLRKYNBWROZWWOR-UHFFFAOYSA-N
MW467.88 g/mol
LogP7.27
Rot. Bonds5

About 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole

5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole (PubChem CID 59240464) has the molecular formula C25H17ClF3N3O and a molecular weight of 467.88 g/mol. Its IUPAC name is 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole.

Molecular Properties

Compound Name5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
PubChem CID59240464
Molecular FormulaC25H17ClF3N3O
Molecular Weight467.88 g/mol
Exact Mass467.10
IUPAC Name5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H17ClF3N3O/c26-21-3-1-2-4-23(21)32-19(14-24(31-32)25(27,28)29)15-33-20-8-5-16(6-9-20)17-7-10-22-18(13-17)11-12-30-22/h1-14,30H,15H2
InChIKeyLRKYNBWROZWWOR-UHFFFAOYSA-N
XLogP7.27
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.88
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The IUPAC name of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole (CID 59240464) is 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole.
What is the SMILES notation for 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The canonical SMILES for 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole is FC(F)(F)c1cc(COc2ccc(-c3ccc4[nH]ccc4c3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The InChIKey is LRKYNBWROZWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N3O/c26-21-3-1-2-4-23(21)32-19(14-24(31-32)25(27,28)29)15-33-20-8-5-16(6-9-20)17-7-10-22-18(13-17)11-12-30-22/h1-14,30H,15H2.
What are the key properties of 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole has a molecular weight of 467.88 g/mol, XLogP of 7.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole is sourced from PubChem (CID 59240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).