methyl 7-[bis(fluoranyl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: methyl 7-[bis(fluoranyl)methyl]-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: methyl 7-(difluoromethyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-(difluoromethyl)-5-phenyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-(difluoromethyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester Formula: C15H11F2N3O2 MolecularWeight: 303.263546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F2N3O2/c1-22-15(21)10-8-18-20-12(13(16)17)7-11(19-14(10)20)9-5-3-2-4-6-9/h2-8,13H,1H3