ethyl 1-(diethylcarbamoyl)-5-methyl-4-(trifluoromethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(diethylcarbamoyl)-5-methyl-4-(trifluoromethyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(diethylcarbamoyl)-5-methyl-4-(trifluoromethyl)pyrazole-3-carboxylate CAS Name: 1-[diethylamino(oxo)methyl]-5-methyl-4-(trifluoromethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(diethylcarbamoyl)-5-methyl-4-(trifluoromethyl)pyrazole-3-carboxylate Traditional Name: 1-(diethylcarbamoyl)-5-methyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid ethyl ester Formula: C13H18F3N3O3 MolecularWeight: 321.29553

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C(=C(C(=N1)C(=O)OCC)C(F)(F)F)C

Isomeric SMILES

CCN(CC)C(=O)N1C(=C(C(=N1)C(=O)OCC)C(F)(F)F)C

InChI

InChI=1S/C13H18F3N3O3/c1-5-18(6-2)12(21)19-8(4)9(13(14,15)16)10(17-19)11(20)22-7-3/h5-7H2,1-4H3