2-(1-Azepanylcarbonyl)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Basic information
- CAS
445289-33-8- Standard SMILES
O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2)N1CCCCCC1- InChIKey
OVSXGELYDBKUFW-UHFFFAOYSA-N- Molecular formula
- C20H22BrF3N4O
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 470.09291
Names & identifiers
- Preferred name
- 2-(1-Azepanylcarbonyl)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- IUPAC
- azepan-1-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
- English name
- 2-(1-azepanylcarbonyl)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- Molecular formula
- C20H22BrF3N4O
- Molecular weight
- 471.3140896
Names & synonyms
2-(1-azepanylcarbonyl)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidineazepan-1-yl(5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)methanoneazepan-1-yl[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanoneSTK959348AKOS003997488AK-968/15360656(azepan-1-yl)[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone445289-33-8azepan-1-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Database identifiers
- CAS
445289-33-8- PubChem CID
- 4177651
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
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Compound notes
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