5-[2,6-bis(fluoranyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylate

Systemtic Name: 5-[2,6-bis(fluoranyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylate Openeye Name: 5-(2,6-difluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylate CAS Name: 5-(2,6-difluorophenyl)-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolecarboxylate IUPAC Name: 5-(2,6-difluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylate Traditional Name: 5-(2,6-difluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylate Formula: C16H11F2N4O2- MolecularWeight: 329.280946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C3=C(C=CC=C3F)F)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C3=C(C=CC=C3F)F)C(=O)[O-])C

InChI

InChI=1S/C16H12F2N4O2/c1-8-6-9(2)20-16(19-8)22-13(15(23)24)7-12(21-22)14-10(17)4-3-5-11(14)18/h3-7H,1-2H3,(H,23,24)/p-1