Basic information
- CAS
312635-19-1- Standard SMILES
CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12- InChIKey
DQWUKBFAOSIKEW-UHFFFAOYSA-N- Molecular formula
- C16H12F3N3O2
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 335.08816112
Names & identifiers
- Preferred name
- Ethyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- ethyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Names & synonyms
ethyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate312635-19-1DQWUKBFAOSIKEW-UHFFFAOYSA-NSMR000103818MLS000107854CHEMBL1431257SCHEMBL13749385DTXSID301147729HMS2497I12STK837897AKOS000560730ST011698
Show more names
AG-690/11383096SR-01000409038SR-01000409038-1ethyl5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylateethyl 5-phenyl-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidine-3-carboxyl ate
Database identifiers
- CAS
312635-19-1- PubChem CID
- 719983
- DTXSID
DTXSID301147729- ChEMBL
CHEMBL1431257
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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