5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C7H7BrF3N3O — CID 130710917

IUPAC5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(F)(F)F)c1Br
InChIInChI=1S/C7H7BrF3N3O/c1-14-5(8)4(2-13-14)6(15)12-3-7(9,10)11/h2H,3H2,1H3,(H,12,15)
InChIKeySAUCLSXBWMDNTO-UHFFFAOYSA-N
MW286.05 g/mol
LogP1.47
Rot. Bonds2

About 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 130710917) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID130710917
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC Name5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(F)(F)F)c1Br
InChIInChI=1S/C7H7BrF3N3O/c1-14-5(8)4(2-13-14)6(15)12-3-7(9,10)11/h2H,3H2,1H3,(H,12,15)
InChIKeySAUCLSXBWMDNTO-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(difluoromethyl)-1-prop-2-enylpyrazole-4-carboxamide
CID 57217965
N-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66660851
1-(Difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726652
N-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 67041891
5-Fluoro-1-methyl-1H-pyrazole-4-carboxamide
CID 67240176
1-(2,2-Difluoroethyl)-1H-pyrazole-4-carboxamide
CID 69089255
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 86207933
N-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 89972148
1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
CID 91041717
N-[chloro(difluoro)methyl]-1-methylpyrazole-4-carboxamide
CID 135329804
5-fluoro-N,1-dimethylpyrazole-4-carboxamide
CID 141441037
3-fluoro-1-methyl-N-propylpyrazole-4-carboxamide
CID 150540323

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 130710917) is 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NCC(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is SAUCLSXBWMDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c1-14-5(8)4(2-13-14)6(15)12-3-7(9,10)11/h2H,3H2,1H3,(H,12,15).
What are the key properties of 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 286.05 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 130710917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).