5-(4-bromophenyl)-N-(4-chloro-2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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Basic information
- CAS
362589-78-4- Standard SMILES
COc1cc(Cl)ccc1NC(=O)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1- InChIKey
IBVYJWZDIQYNQY-UHFFFAOYSA-N- Molecular formula
- C21H13BrClF3N4O2
- Average molar mass
- 525.7 g/mol
- Monoisotopic mass
- 523.98625
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-N-(4-chloro-2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-N-(4-chloro-2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 5-(4-bromophenyl)-N-(4-chloro-2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C21H13BrClF3N4O2
- Molecular weight
- 525.7057296
Names & synonyms
5-(4-bromophenyl)-N-(4-chloro-2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideSTK957600AKOS003921459AK-968/12167947
Database identifiers
- CAS
362589-78-4- PubChem CID
- 4988110
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
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Compound notes
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