2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

C22H15BrF3N3O — CID 15956895

IUPAC2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-n1nccc1-c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H15BrF3N3O/c23-16-8-9-20(30-14-15-5-2-1-3-6-15)17(13-16)19-10-12-28-29(19)21-18(22(24,25)26)7-4-11-27-21/h1-13H,14H2
InChIKeyRCXMLHIEGSFGKX-UHFFFAOYSA-N
MW474.28 g/mol
LogP6.29
Rot. Bonds5

About 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 15956895) has the molecular formula C22H15BrF3N3O and a molecular weight of 474.28 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID15956895
Molecular FormulaC22H15BrF3N3O
Molecular Weight474.28 g/mol
Exact Mass473.04
IUPAC Name2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-n1nccc1-c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C22H15BrF3N3O/c23-16-8-9-20(30-14-15-5-2-1-3-6-15)17(13-16)19-10-12-28-29(19)21-18(22(24,25)26)7-4-11-27-21/h1-13H,14H2
InChIKeyRCXMLHIEGSFGKX-UHFFFAOYSA-N
XLogP6.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.28
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-tert-butyl-2-phenylmethoxybenzene
CID 90310776
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
3-[5-(2-phenylmethoxyphenyl)pyrazol-1-yl]benzoic acid
CID 11187832
2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 141199162
[4-bromo-2-(2-phenylpyrazol-3-yl)phenyl] acetate
CID 71311107
4-[[5-bromo-2-(trifluoromethyl)phenoxy]methyl]aniline
CID 107286696
1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]pyridin-1-ium-3-yl]-2,2,2-trifluoroethanol chloride
CID 160603869
N-[(E)-benzylideneamino]-2-[4-bromo-2-(2-phenylpyrazol-3-yl)phenoxy]acetamide
CID 44722971
2-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]pyridine-4-carboxylic acid;ethyl 2-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]pyridine-4-carboxylate
CID 160978822
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
4-bromo-2-(4-methylsulfonylphenyl)-1-phenylmethoxybenzene
CID 170459918
2-(4-bromo-2-phenylmethoxyphenyl)-1H-imidazole
CID 146672083

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine (CID 15956895) is 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1-n1nccc1-c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is RCXMLHIEGSFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF3N3O/c23-16-8-9-20(30-14-15-5-2-1-3-6-15)17(13-16)19-10-12-28-29(19)21-18(22(24,25)26)7-4-11-27-21/h1-13H,14H2.
What are the key properties of 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine?
2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 474.28 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 15956895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).