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

C29H19Cl2F3N2O2 — CID 59239994

IUPAC1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C29H19Cl2F3N2O2/c30-25-7-4-8-26(31)28(25)36-21(17-27(35-36)29(32,33)34)18-37-22-13-9-19(10-14-22)20-11-15-24(16-12-20)38-23-5-2-1-3-6-23/h1-17H,18H2
InChIKeyNAQUNOJBCXAMDP-UHFFFAOYSA-N
MW555.38 g/mol
LogP9.24
Rot. Bonds7

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

1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 59239994) has the molecular formula C29H19Cl2F3N2O2 and a molecular weight of 555.38 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
PubChem CID59239994
Molecular FormulaC29H19Cl2F3N2O2
Molecular Weight555.38 g/mol
Exact Mass554.08
IUPAC Name1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(COc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C29H19Cl2F3N2O2/c30-25-7-4-8-26(31)28(25)36-21(17-27(35-36)29(32,33)34)18-37-22-13-9-19(10-14-22)20-11-15-24(16-12-20)38-23-5-2-1-3-6-23/h1-17H,18H2
InChIKeyNAQUNOJBCXAMDP-UHFFFAOYSA-N
XLogP9.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.38
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)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

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
4-[5-[4-(Benzyloxy)phenyl]-1-(3-chloro-4-fluorophenyl)-1h-pyrazol-3-yl]aniline
CID 129842690
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
[Rac]-4-{[2-(4-chloro-phenyl)-5,6-difluoro-2h-indazol-3-yl]-cyclohexyl-methoxy}-3-fluoro-benzonitrile
CID 45111210

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (CID 59239994) is 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(COc2ccc(-c3ccc(Oc4ccccc4)cc3)cc2)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is NAQUNOJBCXAMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19Cl2F3N2O2/c30-25-7-4-8-26(31)28(25)36-21(17-27(35-36)29(32,33)34)18-37-22-13-9-19(10-14-22)20-11-15-24(16-12-20)38-23-5-2-1-3-6-23/h1-17H,18H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
1-(2,6-dichlorophenyl)-5-[[4-(4-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 555.38 g/mol, XLogP of 9.24, 7 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-phenoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59239994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).