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

C24H16Cl2F4N2O2 — CID 59240005

IUPAC1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1cc(F)ccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H16Cl2F4N2O2/c1-33-21-11-15(27)7-10-18(21)14-5-8-17(9-6-14)34-13-16-12-22(24(28,29)30)31-32(16)23-19(25)3-2-4-20(23)26/h2-12H,13H2,1H3
InChIKeyHQJSQRHMMSRTQF-UHFFFAOYSA-N
MW511.30 g/mol
LogP7.59
Rot. Bonds6

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

1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 59240005) has the molecular formula C24H16Cl2F4N2O2 and a molecular weight of 511.30 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
PubChem CID59240005
Molecular FormulaC24H16Cl2F4N2O2
Molecular Weight511.30 g/mol
Exact Mass510.05
IUPAC Name1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1cc(F)ccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C24H16Cl2F4N2O2/c1-33-21-11-15(27)7-10-18(21)14-5-8-17(9-6-14)34-13-16-12-22(24(28,29)30)31-32(16)23-19(25)3-2-4-20(23)26/h2-12H,13H2,1H3
InChIKeyHQJSQRHMMSRTQF-UHFFFAOYSA-N
XLogP7.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.30
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole with MolForge

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Related Compounds

1-(3,4-dichlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11180042
1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11340857
5-(4-Chlorophenyl)-3-(4,4-difluorocyclohexyl)oxy-1-(2-methoxyphenyl)pyrazole
CID 73296846
1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole
CID 178419555
4-chloro-3,5-bis[4-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)-1H-pyrazole
CID 19586922
1-(3-Chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19586959
1-(2-Chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19587007
1-(2,4-Dichlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19587149
1-(3-Chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19587274
4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19587276
1-(4-Chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
CID 19587302
4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 19587497

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (CID 59240005) is 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is COc1cc(F)ccc1-c1ccc(OCc2cc(C(F)(F)F)nn2-c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is HQJSQRHMMSRTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F4N2O2/c1-33-21-11-15(27)7-10-18(21)14-5-8-17(9-6-14)34-13-16-12-22(24(28,29)30)31-32(16)23-19(25)3-2-4-20(23)26/h2-12H,13H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
1-(2,6-dichlorophenyl)-5-[[4-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 511.30 g/mol, XLogP of 7.59, 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-(4-fluoro-2-methoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59240005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).