5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole

C16H10BrF3N2 — CID 10067509

IUPAC5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H10BrF3N2/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-22(14)13-4-2-1-3-5-13/h1-10H
InChIKeyNWYHRYOPEBHPIG-UHFFFAOYSA-N
MW367.17 g/mol
LogP5.32
Rot. Bonds2

About 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole

5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 10067509) has the molecular formula C16H10BrF3N2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID10067509
Molecular FormulaC16H10BrF3N2
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(Br)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H10BrF3N2/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-22(14)13-4-2-1-3-5-13/h1-10H
InChIKeyNWYHRYOPEBHPIG-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.17
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromophenyl)-1-phenyl-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 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole (CID 10067509) is 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccc(Br)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is NWYHRYOPEBHPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-22(14)13-4-2-1-3-5-13/h1-10H.
What are the key properties of 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 367.17 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10067509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).