1-[(2S)-1-(dipropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2S)-1-(dipropylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1S)-2-(dipropylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-(dipropylamino)-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2S)-1-(dipropylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-2-(dipropylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C13H20N3O3- MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(C)N1C=CC(=N1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3/c1-4-7-15(8-5-2)12(17)10(3)16-9-6-11(14-16)13(18)19/h6,9-10H,4-5,7-8H2,1-3H3,(H,18,19)/p-1/t10-/m0/s1