4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide

C13H11BrF3N3O — CID 103924603

IUPAC4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H11BrF3N3O/c1-7-5-11(20(2)19-7)18-12(21)9-4-3-8(14)6-10(9)13(15,16)17/h3-6H,1-2H3,(H,18,21)
InChIKeyTVAOXFPDZWGCSS-UHFFFAOYSA-N
MW362.15 g/mol
LogP3.76
Rot. Bonds2

About 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide

4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 103924603) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID103924603
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)n(C)n1
InChIInChI=1S/C13H11BrF3N3O/c1-7-5-11(20(2)19-7)18-12(21)9-4-3-8(14)6-10(9)13(15,16)17/h3-6H,1-2H3,(H,18,21)
InChIKeyTVAOXFPDZWGCSS-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 86913452
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide (CID 103924603) is 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2C(F)(F)F)n(C)n1.
What is the InChIKey of 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is TVAOXFPDZWGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-7-5-11(20(2)19-7)18-12(21)9-4-3-8(14)6-10(9)13(15,16)17/h3-6H,1-2H3,(H,18,21).
What are the key properties of 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 362.15 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103924603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).