ethyl 5-(4-tert-butylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5-(4-tert-butylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(4-tert-butylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(4-tert-butylphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-tert-butylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H20F3N3O2 MolecularWeight: 391.38691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H20F3N3O2/c1-5-28-18(27)14-11-24-26-16(20(21,22)23)10-15(25-17(14)26)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5H2,1-4H3