1-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-[3-(4-chloro-3-methylpyrazol-1-yl)propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H18ClN5O3 MolecularWeight: 339.77742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCNC(=O)CCN2C=CC(=N2)C(=O)O

Isomeric SMILES

CC1=NN(C=C1Cl)CCCNC(=O)CCN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C14H18ClN5O3/c1-10-11(15)9-20(17-10)6-2-5-16-13(21)4-8-19-7-3-12(18-19)14(22)23/h3,7,9H,2,4-6,8H2,1H3,(H,16,21)(H,22,23)