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

C23H15Cl2F3N2O — CID 57458729

IUPAC1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccccc3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C23H15Cl2F3N2O/c24-19-7-4-8-20(25)22(19)30-17(13-21(29-30)23(26,27)28)14-31-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyICQQSVAORBMLLM-UHFFFAOYSA-N
MW463.29 g/mol
LogP7.44
Rot. Bonds5

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

1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 57458729) has the molecular formula C23H15Cl2F3N2O and a molecular weight of 463.29 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID57458729
Molecular FormulaC23H15Cl2F3N2O
Molecular Weight463.29 g/mol
Exact Mass462.05
IUPAC Name1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccccc3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C23H15Cl2F3N2O/c24-19-7-4-8-20(25)22(19)30-17(13-21(29-30)23(26,27)28)14-31-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyICQQSVAORBMLLM-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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Related Compounds

1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-(4-fluoro-benzyloxymethyl)-4-methyl-1H-pyrazole
CID 9912830
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
N-((5-chloro-3-((2,4-dichlorophenoxy)methyl)-1-phenyl-1h-pyrazol-4-yl)methylene)-4-fluoroaniline
CID 146037860
5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole
CID 280872
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole (CID 57458729) is 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(COc2ccc(-c3ccccc3)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is ICQQSVAORBMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2O/c24-19-7-4-8-20(25)22(19)30-17(13-21(29-30)23(26,27)28)14-31-18-11-9-16(10-12-18)15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole?
1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-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 1-(2,6-dichlorophenyl)-5-[(4-phenylphenoxy)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 57458729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).