4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole

C11H7BrClF3N2 — CID 135205319

IUPAC4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1cc(-c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C11H7BrClF3N2/c12-10-3-8(13)1-2-9(10)7-4-17-18(5-7)6-11(14,15)16/h1-5H,6H2
InChIKeyGKXVTHAQUOXEKN-UHFFFAOYSA-N
MW339.54 g/mol
LogP4.53
Rot. Bonds2

About 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole

4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 135205319) has the molecular formula C11H7BrClF3N2 and a molecular weight of 339.54 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID135205319
Molecular FormulaC11H7BrClF3N2
Molecular Weight339.54 g/mol
Exact Mass337.94
IUPAC Name4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1cc(-c2ccc(Cl)cc2Br)cn1
InChIInChI=1S/C11H7BrClF3N2/c12-10-3-8(13)1-2-9(10)7-4-17-18(5-7)6-11(14,15)16/h1-5H,6H2
InChIKeyGKXVTHAQUOXEKN-UHFFFAOYSA-N
XLogP4.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(trifluoromethyl)benzoic acid
CID 162677627
1-[3-methyl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]ethanone
CID 172877584
[2-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 164885241
[2-fluoro-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 171364630
2-bromo-4-chloro-1-(4-fluorophenyl)benzene
CID 168802728
4-[(2-bromophenyl)methoxy]-1-(2,2,2-trifluoroethyl)pyrazole
CID 155907462
4-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 121207449
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(2,2,2-trifluoroethyl)pyrazole
CID 168993532
[3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanamine
CID 170765642
6-fluoro-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinoline
CID 166395277
3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzonitrile
CID 170765694

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 135205319) is 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1cc(-c2ccc(Cl)cc2Br)cn1.
What is the InChIKey of 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is GKXVTHAQUOXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N2/c12-10-3-8(13)1-2-9(10)7-4-17-18(5-7)6-11(14,15)16/h1-5H,6H2.
What are the key properties of 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 339.54 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 135205319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).