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

Systemtic Name: 3,5-dimethyl-1-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(isopropylamino)-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(isopropylamino)-2-keto-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(C)C)C)C(=O)O

InChI

InChI=1S/C11H17N3O3/c1-6(2)12-9(15)5-14-8(4)10(11(16)17)7(3)13-14/h6H,5H2,1-4H3,(H,12,15)(H,16,17)