3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

C17H11BrF3N3O — CID 84565044

IUPAC3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H11BrF3N3O/c18-12-8-4-7-11(9-12)16(25)22-15-13(10-5-2-1-3-6-10)14(23-24-15)17(19,20)21/h1-9H,(H2,22,23,24,25)
InChIKeyWXHPJYVIUBXXIZ-UHFFFAOYSA-N
MW410.19 g/mol
LogP5.11
Rot. Bonds3

About 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide

3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 84565044) has the molecular formula C17H11BrF3N3O and a molecular weight of 410.19 g/mol. Its IUPAC name is 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
PubChem CID84565044
Molecular FormulaC17H11BrF3N3O
Molecular Weight410.19 g/mol
Exact Mass409.00
IUPAC Name3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C17H11BrF3N3O/c18-12-8-4-7-11(9-12)16(25)22-15-13(10-5-2-1-3-6-10)14(23-24-15)17(19,20)21/h1-9H,(H2,22,23,24,25)
InChIKeyWXHPJYVIUBXXIZ-UHFFFAOYSA-N
XLogP5.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.19
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide 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

N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565036
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
2-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565043
1-(3-chlorophenyl)-3-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 84565072
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
3-bromo-N-(3-phenyl-1-benzothiophen-2-yl)benzamide
CID 129145338
N-benzoyl-3-bromobenzamide
CID 118577200
(E)-3-(3,4-dimethoxyphenyl)-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]prop-2-enamide
CID 84565685
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
4-phenyl-3,5-bis(trifluoromethyl)-1H-pyrazole
CID 15075858
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide (CID 84565044) is 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is WXHPJYVIUBXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3N3O/c18-12-8-4-7-11(9-12)16(25)22-15-13(10-5-2-1-3-6-10)14(23-24-15)17(19,20)21/h1-9H,(H2,22,23,24,25).
What are the key properties of 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide?
3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 410.19 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 84565044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).