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

Systemtic Name: 3,5-dimethyl-1-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(isobutylamino)-1-methyl-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(isobutylamino)-2-keto-1-methyl-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NCC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NCC(C)C)C)C(=O)O

InChI

InChI=1S/C13H21N3O3/c1-7(2)6-14-12(17)10(5)16-9(4)11(13(18)19)8(3)15-16/h7,10H,6H2,1-5H3,(H,14,17)(H,18,19)