Basic information
- Standard SMILES
Cc1c(Cc2c(N)nn3c2NC(=O)CC3=O)cccc1C(F)(F)F- InChIKey
OTNLCNALNIAALR-UHFFFAOYSA-N- Molecular formula
- C15H13F3N4O2
- Average molar mass
- 338.28 g/mol
Names & identifiers
- Preferred name
- 2-amino-3-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione
- IUPAC
- 2-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
Names & synonyms
2-amino-3-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dioneSCHEMBL14720133UDSZTABGTIPMBO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136348494
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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