5-(4-bromophenyl)-3-chloro-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Basic information
- CAS
438532-44-6- Standard SMILES
COc1ccc(NC(=O)c2nn3c(c2Cl)NC(c2ccc(Br)cc2)CC3C(F)(F)F)cc1OC- InChIKey
BAXFTLHIXSIZLJ-UHFFFAOYSA-N- Molecular formula
- C22H19BrClF3N4O3
- Average molar mass
- 559.8 g/mol
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-3-chloro-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-3-chloro-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 5-(4-bromophenyl)-3-chloro-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C22H19BrClF3N4O3
- Molecular weight
- 559.7634696
Names & synonyms
5-(4-bromophenyl)-3-chloro-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/41017858ZINC00648164AKOS003927786438532-44-65-(4-BROMOPHENYL)-3-CHLORO-N~2~-(3,4-DIMETHOXYPHENYL)-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
Database identifiers
- CAS
438532-44-6
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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