Basic information
- CAS
98533-99-4- Standard SMILES
O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1Br- InChIKey
ARVJFTLXNCQJMK-UHFFFAOYSA-N- Molecular formula
- C13H10BrCl2N3O
- Average molar mass
- 375 g/mol
- Monoisotopic mass
- 372.93843
Names & identifiers
- Preferred name
- 5-bromo-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
- IUPAC
- 5-bromo-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
Names & synonyms
98533-99-45-bromo-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamideSCHEMBL10365465DTXSID909131905-Bromo-N-cyclopropyl-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carboximidic acid
Database identifiers
- CAS
98533-99-4- PubChem CID
- 179078
- DTXSID
DTXSID90913190
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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