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

Systemtic Name: 1-[1-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[1-[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethylamino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C14H18ClN5O3 MolecularWeight: 339.77742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C(C)N2C=CC(=N2)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C(C)N2C=CC(=N2)C(=O)O)C)Cl

InChI

InChI=1S/C14H18ClN5O3/c1-8-12(15)9(2)20(17-8)7-5-16-13(21)10(3)19-6-4-11(18-19)14(22)23/h4,6,10H,5,7H2,1-3H3,(H,16,21)(H,22,23)