4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole

C25H16Cl2F3N3O — CID 57458723

IUPAC4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc(-c3cccc4[nH]ccc34)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C25H16Cl2F3N3O/c26-20-4-2-5-21(27)24(20)33-16(13-23(32-33)25(28,29)30)14-34-17-9-7-15(8-10-17)18-3-1-6-22-19(18)11-12-31-22/h1-13,31H,14H2
InChIKeyUZUKGUIMLIDWON-UHFFFAOYSA-N
MW502.32 g/mol
LogP7.93
Rot. Bonds5

About 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole

4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole (PubChem CID 57458723) has the molecular formula C25H16Cl2F3N3O and a molecular weight of 502.32 g/mol. Its IUPAC name is 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole.

Molecular Properties

Compound Name4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
PubChem CID57458723
Molecular FormulaC25H16Cl2F3N3O
Molecular Weight502.32 g/mol
Exact Mass501.06
IUPAC Name4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole
SMILESFC(F)(F)c1cc(COc2ccc(-c3cccc4[nH]ccc34)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C25H16Cl2F3N3O/c26-20-4-2-5-21(27)24(20)33-16(13-23(32-33)25(28,29)30)14-34-17-9-7-15(8-10-17)18-3-1-6-22-19(18)11-12-31-22/h1-13,31H,14H2
InChIKeyUZUKGUIMLIDWON-UHFFFAOYSA-N
XLogP7.93
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.32
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The IUPAC name of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole (CID 57458723) is 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole.
What is the SMILES notation for 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The canonical SMILES for 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole is FC(F)(F)c1cc(COc2ccc(-c3cccc4[nH]ccc34)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
The InChIKey is UZUKGUIMLIDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2F3N3O/c26-20-4-2-5-21(27)24(20)33-16(13-23(32-33)25(28,29)30)14-34-17-9-7-15(8-10-17)18-3-1-6-22-19(18)11-12-31-22/h1-13,31H,14H2.
What are the key properties of 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole?
4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole has a molecular weight of 502.32 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]-1H-indole is sourced from PubChem (CID 57458723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).