2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide

C13H11BrF3N3O — CID 115744341

IUPAC2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
SMILESCCc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)n[nH]1
InChIInChI=1S/C13H11BrF3N3O/c1-2-8-6-11(20-19-8)18-12(21)9-5-7(13(15,16)17)3-4-10(9)14/h3-6H,2H2,1H3,(H2,18,19,20,21)
InChIKeyVGDQMLOXJDGJLN-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.01
Rot. Bonds3

About 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide

2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide (PubChem CID 115744341) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
PubChem CID115744341
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
SMILESCCc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)n[nH]1
InChIInChI=1S/C13H11BrF3N3O/c1-2-8-6-11(20-19-8)18-12(21)9-5-7(13(15,16)17)3-4-10(9)14/h3-6H,2H2,1H3,(H2,18,19,20,21)
InChIKeyVGDQMLOXJDGJLN-UHFFFAOYSA-N
XLogP4.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
3-bromo-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 47423213
5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819398
N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86899011
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide (CID 115744341) is 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide is CCc1cc(NC(=O)c2cc(C(F)(F)F)ccc2Br)n[nH]1.
What is the InChIKey of 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is VGDQMLOXJDGJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-2-8-6-11(20-19-8)18-12(21)9-5-7(13(15,16)17)3-4-10(9)14/h3-6H,2H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide?
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 362.15 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115744341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).