3-ethyl-1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-ethyl-1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 3-ethyl-1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 3-ethyl-1-(6-phenoxy-4-pyrimidinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-ethyl-1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 3-ethyl-1-(6-phenoxypyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C17H13F3N4O3 MolecularWeight: 378.30533

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC(=NC=N2)OC3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)C(F)(F)F)C2=CC(=NC=N2)OC3=CC=CC=C3

InChI

InChI=1S/C17H13F3N4O3/c1-2-11-14(16(25)26)15(17(18,19)20)24(23-11)12-8-13(22-9-21-12)27-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,25,26)