5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

C27H15BrCl4F6N4O2 — CID 161185318

IUPAC5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESFC(F)(F)c1cc(OCc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1.O=c1cc(C(F)(F)F)[nH]n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H10BrCl2F3N2O.C10H5Cl2F3N2O/c18-11-6-4-10(5-7-11)9-26-15-8-14(17(21,22)23)24-25(15)16-12(19)2-1-3-13(16)20;11-5-2-1-3-6(12)9(5)17-8(18)4-7(16-17)10(13,14)15/h1-8H,9H2;1-4,16H
InChIKeyZUQZYKVAWIXOMI-UHFFFAOYSA-N
MW763.15 g/mol
LogP10.03
Rot. Bonds5

About 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one

5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 161185318) has the molecular formula C27H15BrCl4F6N4O2 and a molecular weight of 763.15 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID161185318
Molecular FormulaC27H15BrCl4F6N4O2
Molecular Weight763.15 g/mol
Exact Mass759.90
IUPAC Name5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESFC(F)(F)c1cc(OCc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1.O=c1cc(C(F)(F)F)[nH]n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H10BrCl2F3N2O.C10H5Cl2F3N2O/c18-11-6-4-10(5-7-11)9-26-15-8-14(17(21,22)23)24-25(15)16-12(19)2-1-3-13(16)20;11-5-2-1-3-6(12)9(5)17-8(18)4-7(16-17)10(13,14)15/h1-8H,9H2;1-4,16H
InChIKeyZUQZYKVAWIXOMI-UHFFFAOYSA-N
XLogP10.03
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.15
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one 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 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 161185318) is 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is FC(F)(F)c1cc(OCc2ccc(Br)cc2)n(-c2c(Cl)cccc2Cl)n1.O=c1cc(C(F)(F)F)[nH]n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is ZUQZYKVAWIXOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrCl2F3N2O.C10H5Cl2F3N2O/c18-11-6-4-10(5-7-11)9-26-15-8-14(17(21,22)23)24-25(15)16-12(19)2-1-3-13(16)20;11-5-2-1-3-6(12)9(5)17-8(18)4-7(16-17)10(13,14)15/h1-8H,9H2;1-4,16H.
What are the key properties of 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one has a molecular weight of 763.15 g/mol, XLogP of 10.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methoxy]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole;2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 161185318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).