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

Systemtic Name: 3,5-dimethyl-1-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(isopentylamino)-1-methyl-2-oxo-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(isoamylamino)-2-keto-1-methyl-ethyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C14H23N3O3 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NCCC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NCCC(C)C)C)C(=O)O

InChI

InChI=1S/C14H23N3O3/c1-8(2)6-7-15-13(18)11(5)17-10(4)12(14(19)20)9(3)16-17/h8,11H,6-7H2,1-5H3,(H,15,18)(H,19,20)