Basic information
- CAS
98533-93-8- Standard SMILES
CNC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1Br- InChIKey
OFKGAOLJWWLHQL-UHFFFAOYSA-N- Molecular formula
- C11H8BrCl2N3O
- Average molar mass
- 349.01 g/mol
- Monoisotopic mass
- 346.92278
Names & identifiers
- Preferred name
- 5-bromo-1-(3,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
- IUPAC
- 5-bromo-1-(3,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
Names & synonyms
98533-93-85-bromo-1-(3,4-dichlorophenyl)-N-methylpyrazole-4-carboxamideSCHEMBL10365128DTXSID509131915-Bromo-1-(3,4-dichlorophenyl)-N-methyl-1H-pyrazole-4-carboximidic acid
Database identifiers
- CAS
98533-93-8- PubChem CID
- 179074
- DTXSID
DTXSID50913191
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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