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

Systemtic Name: 5-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-(4-bromo-3-methyl-pyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-(4-bromo-3-methyl-1-pyrazolyl)propylamino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[3-(4-bromo-3-methyl-pyrazol-1-yl)propylcarbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=O)C2=C(C=NN2C)C(=O)O

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=O)C2=C(C=NN2C)C(=O)O

InChI

InChI=1S/C13H16BrN5O3/c1-8-10(14)7-19(17-8)5-3-4-15-12(20)11-9(13(21)22)6-16-18(11)2/h6-7H,3-5H2,1-2H3,(H,15,20)(H,21,22)