1-[(3-bromophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(3-bromophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[(3-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)Br)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)Br)C)C(=O)O

InChI

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