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

C24H14Cl2F6N2O — CID 59239998

IUPAC1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C24H14Cl2F6N2O/c25-19-6-3-7-20(26)22(19)34-15(12-21(33-34)24(30,31)32)13-35-16-10-8-14(9-11-16)17-4-1-2-5-18(17)23(27,28)29/h1-12H,13H2
InChIKeyLIEBKAIOMZFOEP-UHFFFAOYSA-N
MW531.28 g/mol
LogP8.46
Rot. Bonds5

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

1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole (PubChem CID 59239998) has the molecular formula C24H14Cl2F6N2O and a molecular weight of 531.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole
PubChem CID59239998
Molecular FormulaC24H14Cl2F6N2O
Molecular Weight531.28 g/mol
Exact Mass530.04
IUPAC Name1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C24H14Cl2F6N2O/c25-19-6-3-7-20(26)22(19)34-15(12-21(33-34)24(30,31)32)13-35-16-10-8-14(9-11-16)17-4-1-2-5-18(17)23(27,28)29/h1-12H,13H2
InChIKeyLIEBKAIOMZFOEP-UHFFFAOYSA-N
XLogP8.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.28
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11340857
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
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
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,5-diethyl-4-[(2-methoxynaphthalen-1-yl)methyl]pyrazole
CID 21837324
3-[5-[(4-Phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 53730258
3-[5-[(4-Phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 53953843
1-(2-Chlorophenyl)-5-[(3-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 57458202

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole (CID 59239998) is 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole is FC(F)(F)c1cc(COc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole?
The InChIKey is LIEBKAIOMZFOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F6N2O/c25-19-6-3-7-20(26)22(19)34-15(12-21(33-34)24(30,31)32)13-35-16-10-8-14(9-11-16)17-4-1-2-5-18(17)23(27,28)29/h1-12H,13H2.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole?
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole has a molecular weight of 531.28 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(trifluoromethyl)-5-[[4-[2-(trifluoromethyl)phenyl]phenoxy]methyl]pyrazole is sourced from PubChem (CID 59239998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).