2-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(3,5-dimethyl-1-pyrazolyl)propan-2-ylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)NC(=O)CCN2C(=CC=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1CC(C)NC(=O)CCN2C(=CC=N2)C(=O)O)C

InChI

InChI=1S/C15H21N5O3/c1-10-8-12(3)20(18-10)9-11(2)17-14(21)5-7-19-13(15(22)23)4-6-16-19/h4,6,8,11H,5,7,9H2,1-3H3,(H,17,21)(H,22,23)