4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H10BrF4N3O — CID 19480984

IUPAC4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)c1
InChIInChI=1S/C13H10BrF4N3O/c1-6-3-4-7(15)8(5-6)19-12(22)10-9(14)11(13(16,17)18)20-21(10)2/h3-5H,1-2H3,(H,19,22)
InChIKeyDTOXGHCRFXJHHO-UHFFFAOYSA-N
MW380.14 g/mol
LogP3.90
Rot. Bonds2

About 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19480984) has the molecular formula C13H10BrF4N3O and a molecular weight of 380.14 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19480984
Molecular FormulaC13H10BrF4N3O
Molecular Weight380.14 g/mol
Exact Mass378.99
IUPAC Name4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)c1
InChIInChI=1S/C13H10BrF4N3O/c1-6-3-4-7(15)8(5-6)19-12(22)10-9(14)11(13(16,17)18)20-21(10)2/h3-5H,1-2H3,(H,19,22)
InChIKeyDTOXGHCRFXJHHO-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-pyridin-4-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480929
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-fluoro-5-methylphenyl)propanamide
CID 19532486
4-chloro-N-(2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267924
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481190
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481522
4-bromo-N-(2-cyano-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481156
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481136
4-bromo-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481077
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481621
N-(2-fluoro-5-methylphenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261955
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 42971041

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19480984) is 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1ccc(F)c(NC(=O)c2c(Br)c(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is DTOXGHCRFXJHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF4N3O/c1-6-3-4-7(15)8(5-6)19-12(22)10-9(14)11(13(16,17)18)20-21(10)2/h3-5H,1-2H3,(H,19,22).
What are the key properties of 4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-N-(2-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 380.14 g/mol, XLogP of 3.90, 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-fluoro-5-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19480984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).