1-[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate CAS Name: 1-[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylate IUPAC Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylate Formula: C12H9F2N4O2- MolecularWeight: 279.222266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)[O-])C(F)F

InChI

InChI=1S/C12H10F2N4O2/c13-10(14)9-5-8(6-1-2-6)15-12(16-9)18-4-3-7(17-18)11(19)20/h3-6,10H,1-2H2,(H,19,20)/p-1