3-[((2S)-2-Methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
Basic information
- Standard SMILES
C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1cnn2cccnc12- InChIKey
GVLVUGVELCMWJR-ZDUSSCGKSA-N- Molecular formula
- C19H18F3N5O3S
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.10824511
Names & identifiers
- Preferred name
- 3-[((2S)-2-Methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
- IUPAC
- [(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
Names & synonyms
3-[((2S)-2-Methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidineSCHEMBL309552
Database identifiers
- PubChem CID
- 44595708
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 767
Related reactions
1 records
Compound notes
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