4-[2-(4-chloranylpyrazol-1-yl)ethylcarbamoyl]-1-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[2-(4-chloranylpyrazol-1-yl)ethylcarbamoyl]-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]-1-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[[2-(4-chloro-1-pyrazolyl)ethylamino]-oxomethyl]-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]-1-methylpyrazole-3-carboxylic acid Traditional Name: 4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]-1-methyl-pyrazole-3-carboxylic acid Formula: C11H12ClN5O3 MolecularWeight: 297.69768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)O)C(=O)NCCN2C=C(C=N2)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O)C(=O)NCCN2C=C(C=N2)Cl

InChI

InChI=1S/C11H12ClN5O3/c1-16-6-8(9(15-16)11(19)20)10(18)13-2-3-17-5-7(12)4-14-17/h4-6H,2-3H2,1H3,(H,13,18)(H,19,20)