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

Systemtic Name: 3,5-dimethyl-1-[1-oxidanylidene-1-(pentylamino)propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-[1-methyl-2-oxo-2-(pentylamino)ethyl]pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-[1-oxo-1-(pentylamino)propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-[1-oxo-1-(pentylamino)propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(amylamino)-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:

CCCCCNC(=O)C(C)N1C(=C(C(=N1)C)C(=O)O)C

Isomeric SMILES

CCCCCNC(=O)C(C)N1C(=C(C(=N1)C)C(=O)O)C

InChI

InChI=1S/C14H23N3O3/c1-5-6-7-8-15-13(18)11(4)17-10(3)12(14(19)20)9(2)16-17/h11H,5-8H2,1-4H3,(H,15,18)(H,19,20)