Basic information
- CAS
444904-83-0- Standard SMILES
O=C(c1cnn2c1NC(c1ccc(Br)cc1)CC2C(F)(F)F)N1CCN(Cc2ccccc2)CC1- InChIKey
OHGAFUBYEWEBFU-UHFFFAOYSA-N- Molecular formula
- C25H25BrF3N5O
- Average molar mass
- 548.4 g/mol
Names & identifiers
- Preferred name
- (4-Benzylpiperazin-1-yl)[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
- IUPAC
- (4-benzylpiperazin-1-yl)-[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
- English name
- 3-[(4-benzyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
- Molecular formula
- C25H25BrF3N5O
- Molecular weight
- 548.3981096
Names & synonyms
(4-benzylpiperazin-1-yl)[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone(4-benzylpiperazin-1-yl)(5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanoneAK-968/15360696STK967594AKOS003395935(4-benzylpiperazin-1-yl)-[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone3-[(4-benzyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine444904-83-0
Database identifiers
- CAS
444904-83-0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 720
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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