5-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-bromo-2-methyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[(4-bromo-2-methyl-3-pyrazolyl)methyl-methylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-bromo-2-methylpyrazol-3-yl)methyl-methylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-bromo-2-methyl-pyrazol-3-yl)methyl-methyl-carbamoyl]-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)Br)CN(C)C(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)Br)CN(C)C(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C12H14BrN5O3/c1-16(6-9-8(13)5-15-17(9)2)11(19)10-7(12(20)21)4-14-18(10)3/h4-5H,6H2,1-3H3,(H,20,21)