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

Systemtic Name: ethyl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(4-methylphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C17H14F3N3O2 MolecularWeight: 349.30717

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O2/c1-3-25-16(24)12-9-21-23-14(17(18,19)20)8-13(22-15(12)23)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3