1-(3-bromophenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CCCC1=C(C=NN1C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C13H13BrN2O2/c1-2-4-12-11(13(17)18)8-15-16(12)10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,17,18)