1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole

C24H15Cl2F5N2O2 — CID 59240044

IUPAC1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1c(F)cc(F)cc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H15Cl2F5N2O2/c1-34-23-17(9-14(27)10-20(23)28)13-5-7-16(8-6-13)35-12-15-11-21(24(29,30)31)32-33(15)22-18(25)3-2-4-19(22)26/h2-11H,12H2,1H3
InChIKeyXMGVXVROOHXMLE-UHFFFAOYSA-N
MW529.29 g/mol
LogP7.73
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole

1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 59240044) has the molecular formula C24H15Cl2F5N2O2 and a molecular weight of 529.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
PubChem CID59240044
Molecular FormulaC24H15Cl2F5N2O2
Molecular Weight529.29 g/mol
Exact Mass528.04
IUPAC Name1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1c(F)cc(F)cc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H15Cl2F5N2O2/c1-34-23-17(9-14(27)10-20(23)28)13-5-7-16(8-6-13)35-12-15-11-21(24(29,30)31)32-33(15)22-18(25)3-2-4-19(22)26/h2-11H,12H2,1H3
InChIKeyXMGVXVROOHXMLE-UHFFFAOYSA-N
XLogP7.73
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.29
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole 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 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (CID 59240044) is 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is COc1c(F)cc(F)cc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is XMGVXVROOHXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2F5N2O2/c1-34-23-17(9-14(27)10-20(23)28)13-5-7-16(8-6-13)35-12-15-11-21(24(29,30)31)32-33(15)22-18(25)3-2-4-19(22)26/h2-11H,12H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 529.29 g/mol, XLogP of 7.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-[[4-(3,5-difluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59240044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).