3,5-dimethyl-1-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-(1-methyl-2-morpholino-2-oxo-ethyl)pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[1-(4-morpholinyl)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-keto-1-methyl-2-morpholino-ethyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCOCC2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)N2CCOCC2)C)C(=O)O

InChI

InChI=1S/C13H19N3O4/c1-8-11(13(18)19)9(2)16(14-8)10(3)12(17)15-4-6-20-7-5-15/h10H,4-7H2,1-3H3,(H,18,19)