1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid CAS Name: 1-[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxylic acid Formula: C13H7F3N4O3 MolecularWeight: 324.21489

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)C2=CC(=NC(=N2)N3C=CC(=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H7F3N4O3/c14-13(15,16)10-6-8(9-2-1-5-23-9)17-12(18-10)20-4-3-7(19-20)11(21)22/h1-6H,(H,21,22)