1-[1-oxidanylidene-1-(pentylamino)propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-(pentylamino)propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-(pentylamino)ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-oxo-1-(pentylamino)propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-oxo-1-(pentylamino)propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(amylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O3/c1-3-4-5-6-13-11(16)9(2)15-8-10(7-14-15)12(17)18/h7-9H,3-6H2,1-2H3,(H,13,16)(H,17,18)