5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole

C16H10BrF3N2 — CID 134462721

IUPAC5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole
SMILESFC(F)(F)c1cccc(Br)c1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H10BrF3N2/c17-12-8-4-7-11(16(18,19)20)15(12)14-9-13(21-22-14)10-5-2-1-3-6-10/h1-9H,(H,21,22)
InChIKeyIIXVFTAOAXYSLE-UHFFFAOYSA-N
MW367.17 g/mol
LogP5.53
Rot. Bonds2

About 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole

5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole (PubChem CID 134462721) has the molecular formula C16H10BrF3N2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole
PubChem CID134462721
Molecular FormulaC16H10BrF3N2
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole
SMILESFC(F)(F)c1cccc(Br)c1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H10BrF3N2/c17-12-8-4-7-11(16(18,19)20)15(12)14-9-13(21-22-14)10-5-2-1-3-6-10/h1-9H,(H,21,22)
InChIKeyIIXVFTAOAXYSLE-UHFFFAOYSA-N
XLogP5.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.17
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-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-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole?
The IUPAC name of 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole (CID 134462721) is 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole is FC(F)(F)c1cccc(Br)c1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole?
The InChIKey is IIXVFTAOAXYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2/c17-12-8-4-7-11(16(18,19)20)15(12)14-9-13(21-22-14)10-5-2-1-3-6-10/h1-9H,(H,21,22).
What are the key properties of 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole?
5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole has a molecular weight of 367.17 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-6-(trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole is sourced from PubChem (CID 134462721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).