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

Systemtic Name: 1-[(2S)-1-(dipropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-(dipropylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-(dipropylamino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(dipropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-(dipropylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C13H21N3O3 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(C)N1C=C(C=N1)C(=O)O

Isomeric SMILES

CCCN(CCC)C(=O)[C@H](C)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C13H21N3O3/c1-4-6-15(7-5-2)12(17)10(3)16-9-11(8-14-16)13(18)19/h8-10H,4-7H2,1-3H3,(H,18,19)/t10-/m0/s1