5-[(E)-3-(dimethylamino)prop-2-enoyl]-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 5-[(E)-3-(dimethylamino)prop-2-enoyl]-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid Openeye Name: 5-[(E)-3-(dimethylamino)prop-2-enoyl]-1-[6-methyl-4-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid CAS Name: 5-[(E)-3-(dimethylamino)-1-oxoprop-2-enyl]-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-[(E)-3-(dimethylamino)prop-2-enoyl]-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid Traditional Name: 5-[(E)-3-(dimethylamino)acryloyl]-1-[6-methyl-4-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid Formula: C16H15F3N4O3 MolecularWeight: 368.31051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C(F)(F)F)N2C(=C(C=N2)C(=O)O)C(=O)C=CN(C)C

Isomeric SMILES

CC1=NC(=CC(=C1)C(F)(F)F)N2C(=C(C=N2)C(=O)O)C(=O)/C=C/N(C)C

InChI

InChI=1S/C16H15F3N4O3/c1-9-6-10(16(17,18)19)7-13(21-9)23-14(11(8-20-23)15(25)26)12(24)4-5-22(2)3/h4-8H,1-3H3,(H,25,26)/b5-4+