1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole

C10H4BrF5N2 — CID 86707216

IUPAC1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1cc(Br)cc(F)c1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H4BrF5N2/c11-5-3-6(12)9(7(13)4-5)18-2-1-8(17-18)10(14,15)16/h1-4H
InChIKeyZAQKXVIYUZUZBG-UHFFFAOYSA-N
MW327.05 g/mol
LogP3.93
Rot. Bonds1

About 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole

1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 86707216) has the molecular formula C10H4BrF5N2 and a molecular weight of 327.05 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole
PubChem CID86707216
Molecular FormulaC10H4BrF5N2
Molecular Weight327.05 g/mol
Exact Mass325.95
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole
SMILESFc1cc(Br)cc(F)c1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H4BrF5N2/c11-5-3-6(12)9(7(13)4-5)18-2-1-8(17-18)10(14,15)16/h1-4H
InChIKeyZAQKXVIYUZUZBG-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.05
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2,6-difluorophenyl)-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-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole (CID 86707216) is 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole is Fc1cc(Br)cc(F)c1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is ZAQKXVIYUZUZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF5N2/c11-5-3-6(12)9(7(13)4-5)18-2-1-8(17-18)10(14,15)16/h1-4H.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole?
1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 327.05 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 86707216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).