5-(4-Bromophenyl)-3-chloro-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
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Basic information
- CAS
313389-35-4- Standard SMILES
O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl)N1CCCC1- InChIKey
YHWWUXFNTWSSIO-UHFFFAOYSA-N- Molecular formula
- C18H13BrClF3N4O
- Average molar mass
- 473.7 g/mol
- Monoisotopic mass
- 471.99134
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-3-chloro-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
- English name
- 5-(4-bromophenyl)-3-chloro-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C18H13BrClF3N4O
- Molecular weight
- 473.6742296
Names & synonyms
5-(4-bromophenyl)-3-chloro-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](pyrrolidin-1-yl)methanoneYHWWUXFNTWSSIO-UHFFFAOYSA-NSCHEMBL4200866STL405227AKOS003996211[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanoneAK-968/12265211
Database identifiers
- CAS
313389-35-4- PubChem CID
- 1222107
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
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Compound notes
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