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

C23H15Cl2F5N2O — CID 143695540

IUPAC1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESFC1=CC(c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)=CCC1F
InChIInChI=1S/C23H15Cl2F5N2O/c24-17-2-1-3-18(25)22(17)32-15(11-21(31-32)23(28,29)30)12-33-16-7-4-13(5-8-16)14-6-9-19(26)20(27)10-14/h1-8,10-11,19H,9,12H2
InChIKeyAWANXTJCOFPRBT-UHFFFAOYSA-N
MW501.28 g/mol
LogP7.76
Rot. Bonds5

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

1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 143695540) has the molecular formula C23H15Cl2F5N2O and a molecular weight of 501.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
PubChem CID143695540
Molecular FormulaC23H15Cl2F5N2O
Molecular Weight501.28 g/mol
Exact Mass500.05
IUPAC Name1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
SMILESFC1=CC(c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)=CCC1F
InChIInChI=1S/C23H15Cl2F5N2O/c24-17-2-1-3-18(25)22(17)32-15(11-21(31-32)23(28,29)30)12-33-16-7-4-13(5-8-16)14-6-9-19(26)20(27)10-14/h1-8,10-11,19H,9,12H2
InChIKeyAWANXTJCOFPRBT-UHFFFAOYSA-N
XLogP7.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.28
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)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-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole (CID 143695540) is 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is FC1=CC(c2ccc(OCc3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)cc2)=CCC1F.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is AWANXTJCOFPRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F5N2O/c24-17-2-1-3-18(25)22(17)32-15(11-21(31-32)23(28,29)30)12-33-16-7-4-13(5-8-16)14-6-9-19(26)20(27)10-14/h1-8,10-11,19H,9,12H2.
What are the key properties of 1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole?
1-(2,6-dichlorophenyl)-5-[[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 501.28 g/mol, XLogP of 7.76, 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-(4,5-difluorocyclohexa-1,5-dien-1-yl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 143695540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).