3,5-dimethyl-1-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(isobutylamino)-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[2-(2-methylpropylamino)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[2-(2-methylpropylamino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(isobutylamino)-2-keto-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NCC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NCC(C)C)C)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-7(2)5-13-10(16)6-15-9(4)11(12(17)18)8(3)14-15/h7H,5-6H2,1-4H3,(H,13,16)(H,17,18)