Basic information
- CAS
515177-49-8- Standard SMILES
Cc1nn(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Br- InChIKey
ZISJDRXOSYQNNM-UHFFFAOYSA-N- Molecular formula
- C12H10BrClN4O3
- Average molar mass
- 373.59 g/mol
- Monoisotopic mass
- 371.96248
Names & identifiers
- Preferred name
- 4-bromo-N-(2-chloro-4-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
- IUPAC
- 4-bromo-N-(2-chloro-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
- English name
- 4-bromo-N-{2-chloro-4-nitrophenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
- Molecular formula
- C12H10BrClN4O3
- Molecular weight
- 373.5898
Names & synonyms
4-bromo-N-(2-chloro-4-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide4-bromo-N-{2-chloro-4-nitrophenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamideAKOS003763194AK-968/407077644-BROMO-N~5~-(2-CHLORO-4-NITROPHENYL)-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXAMIDE515177-49-8
Database identifiers
- CAS
515177-49-8- PubChem CID
- 4549229
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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