5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Basic information
- CAS
330947-64-3- Standard SMILES
CSc1ccccc1NC(=O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1- InChIKey
FSHIAEHNXFEDOJ-UHFFFAOYSA-N- Molecular formula
- C22H15F3N4O3S
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 472.08169601
Names & identifiers
- Preferred name
- 5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C22H15F3N4O3S
- Molecular weight
- 472.44
Names & synonyms
5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideAG-219/37149069STK535737AKOS0054667335-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide5-(benzo[d][1,3]dioxol-5-yl)-N-(2-(methylthio)phenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamidePyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(1,3-benzodioxol-5-yl)-N-[2-(methylthio)phenyl]-7-(trifluoromethyl)-
Database identifiers
- CAS
330947-64-3- PubChem CID
- 1046624
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 717
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 10.38 · 10.38±0.70(Predicted)
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Compound notes
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