Basic information
- CAS
1006621-50-6- Standard SMILES
Cc1cc(Cl)cc(C(N)=O)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl- InChIKey
YUXYKQSPWFRRSY-UHFFFAOYSA-N- Molecular formula
- C17H12BrCl2N5O2
- Average molar mass
- 469.1 g/mol
- Monoisotopic mass
- 466.95514
Names & identifiers
- Preferred name
- N-[2-(Aminocarbonyl)-4-chloro-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-bromo-N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
Names & synonyms
IN-F9N04SCHEMBL15984455SCHEMBL29377193SCHEMBL31060097DTXSID901028600NS000672101006621-50-6N-[2-(Aminocarbonyl)-4-chloro-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
Database identifiers
- CAS
1006621-50-6- PubChem CID
- 90367673
- DTXSID
DTXSID901028600
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 571
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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