Basic information
- CAS
515149-23-2- Standard SMILES
Cc1cc(F)ccc1NC(=O)c1c(Br)c(C)nn1C- InChIKey
VLMFSVGKRZXJFO-UHFFFAOYSA-N- Molecular formula
- C13H13BrFN3O
- Average molar mass
- 326.16 g/mol
Names & identifiers
- Preferred name
- 4-bromo-N-(4-fluoro-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
- IUPAC
- 4-bromo-N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
- English name
- 4-bromo-N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
- Molecular formula
- C13H13BrFN3O
- Molecular weight
- 326.16
Names & synonyms
4-bromo-N-(4-fluoro-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide4-bromo-N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamideOprea1_576248STK316775AKOS003753258515149-23-21H-Pyrazole-5-carboxamide, 4-bromo-N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-
Database identifiers
- CAS
515149-23-2
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 364 · 364.0±42.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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