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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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).