Basic information
- Standard SMILES
O=C(O)c1cnn2ccc(Nc3cccc(C(F)(F)F)n3)nc12- InChIKey
QMTAHRSTJPLODG-UHFFFAOYSA-N- Molecular formula
- C13H8F3N5O2
- Average molar mass
- 323.23 g/mol
Names & identifiers
- Preferred name
- 5-(6-Trifluoromethyl-pyridin-2-ylamino)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
- IUPAC
- 5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Names & synonyms
5-(6-trifluoromethyl-pyridin-2-ylamino)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acidSCHEMBL400999
Database identifiers
- PubChem CID
- 58063147
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
1 records
Compound notes
Loading…