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Basic information
- Standard SMILES
Cc1nn2c(c1Cc1cccc(C(F)(F)F)c1C)NC(=O)CC2=O- InChIKey
XURLABYJTQKAAS-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3O2
- Average molar mass
- 337.3 g/mol
Names & identifiers
- Preferred name
- 2-methyl-3-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dione
- IUPAC
- 2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
Names & synonyms
2-methyl-3-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}pyrazolo[1,5-a]pyrimidine-5,7(4H,6H)-dioneSCHEMBL14720090QHJSEFHTKPAWFC-UHFFFAOYSA-NXURLABYJTQKAAS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136348490
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Related reactions
1 records
Compound notes
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