5-[3-(4-bromanylpyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[3-(4-bromanylpyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-(4-bromopyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(4-bromo-1-pyrazolyl)propylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-(4-bromopyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[3-(4-bromopyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H14BrN5O3 MolecularWeight: 356.17526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NCCCN2C=C(C=N2)Br

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NCCCN2C=C(C=N2)Br

InChI

InChI=1S/C12H14BrN5O3/c1-17-10(9(6-15-17)12(20)21)11(19)14-3-2-4-18-7-8(13)5-16-18/h5-7H,2-4H2,1H3,(H,14,19)(H,20,21)