3-[3-[2-(4-chloranylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[2-(4-chloranylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[2-(4-chloro-1-pyrazolyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C12H14ClN5O3 MolecularWeight: 311.72426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)NCCN2C=C(C=N2)Cl)CCC(=O)O

Isomeric SMILES

C1=CN(N=C1C(=O)NCCN2C=C(C=N2)Cl)CCC(=O)O

InChI

InChI=1S/C12H14ClN5O3/c13-9-7-15-18(8-9)6-3-14-12(21)10-1-4-17(16-10)5-2-11(19)20/h1,4,7-8H,2-3,5-6H2,(H,14,21)(H,19,20)