methyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: methyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: methyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5-(4-bromophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester Formula: C15H9BrF3N3O2 MolecularWeight: 400.15007

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C15H9BrF3N3O2/c1-24-14(23)11-7-13-20-10(8-2-4-9(16)5-3-8)6-12(15(17,18)19)22(13)21-11/h2-7H,1H3