3-bromo-5-(4-bromophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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Basic information
- CAS
352691-11-3- Standard SMILES
CCc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc3c2Br)cc1- InChIKey
QOSLNLGOYGMUHV-UHFFFAOYSA-N- Molecular formula
- C22H15Br2F3N4O
- Average molar mass
- 568.2 g/mol
- Monoisotopic mass
- 565.95647
Names & identifiers
- Preferred name
- 3-bromo-5-(4-bromophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-5-(4-bromophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 3-bromo-5-(4-bromophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C22H15Br2F3N4O
- Molecular weight
- 568.18
Names & synonyms
3-bromo-5-(4-bromophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/12264099STK957628AKOS001620637SR-01000436494SR-01000436494-1Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-5-(4-bromophenyl)-N-(4-ethylphenyl)-7-(trifluoromethyl)-
Database identifiers
- CAS
352691-11-3- PubChem CID
- 1587347
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 9.59 · 9.59±0.70(Predicted)
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Related reactions
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Compound notes
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