2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C7H7BrF3N3O — CID 1244557

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(N)=O
InChIInChI=1S/C7H7BrF3N3O/c1-3-5(8)6(7(9,10)11)13-14(3)2-4(12)15/h2H2,1H3,(H2,12,15)
InChIKeyAZIFKGZRRJXJFR-UHFFFAOYSA-N
MW286.05 g/mol
LogP1.46
Rot. Bonds2

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 1244557) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID1244557
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(N)=O
InChIInChI=1S/C7H7BrF3N3O/c1-3-5(8)6(7(9,10)11)13-14(3)2-4(12)15/h2H2,1H3,(H2,12,15)
InChIKeyAZIFKGZRRJXJFR-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 604525
2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 1268293
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 1101551
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 1877143
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 813465
4-bromo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 62128429
1-(Azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 1101549
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 1242220
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1716418
3-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
CID 35524571
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(cyanomethyl)acetamide
CID 4356591

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 1244557) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1c(Br)c(C(F)(F)F)nn1CC(N)=O.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AZIFKGZRRJXJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c1-3-5(8)6(7(9,10)11)13-14(3)2-4(12)15/h2H2,1H3,(H2,12,15).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 286.05 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 1244557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).