4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole

C23H15Cl2F3N2O — CID 3744520

IUPAC4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(-c2ccccc2)c(-c2ccccc2)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C23H15Cl2F3N2O/c24-18-12-7-13-19(25)17(18)14-31-21-20(15-8-3-1-4-9-15)30(16-10-5-2-6-11-16)29-22(21)23(26,27)28/h1-13H,14H2
InChIKeyFFGFOAQGNDGHIJ-UHFFFAOYSA-N
MW463.29 g/mol
LogP7.44
Rot. Bonds5

About 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole

4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole (PubChem CID 3744520) has the molecular formula C23H15Cl2F3N2O and a molecular weight of 463.29 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole
PubChem CID3744520
Molecular FormulaC23H15Cl2F3N2O
Molecular Weight463.29 g/mol
Exact Mass462.05
IUPAC Name4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(-c2ccccc2)c(-c2ccccc2)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C23H15Cl2F3N2O/c24-18-12-7-13-19(25)17(18)14-31-21-20(15-8-3-1-4-9-15)30(16-10-5-2-6-11-16)29-22(21)23(26,27)28/h1-13H,14H2
InChIKeyFFGFOAQGNDGHIJ-UHFFFAOYSA-N
XLogP7.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole (CID 3744520) is 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1nn(-c2ccccc2)c(-c2ccccc2)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is FFGFOAQGNDGHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2O/c24-18-12-7-13-19(25)17(18)14-31-21-20(15-8-3-1-4-9-15)30(16-10-5-2-6-11-16)29-22(21)23(26,27)28/h1-13H,14H2.
What are the key properties of 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole?
4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 463.29 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methoxy]-1,5-diphenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 3744520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).