Basic information
- CAS
445289-25-8- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2- InChIKey
FPYZZCPKBBFSGQ-UHFFFAOYSA-N- Molecular formula
- C20H15BrClF3N4O
- Average molar mass
- 499.7 g/mol
- Monoisotopic mass
- 498.00699
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 5-(4-bromophenyl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C20H15BrClF3N4O
- Molecular weight
- 499.7115096
Names & synonyms
5-(4-bromophenyl)-N-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15360632STK959343AKOS004000990445289-25-8
Database identifiers
- CAS
445289-25-8- PubChem CID
- 5188223
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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