3-(3-bromophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-bromophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(3-bromophenyl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-bromophenyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-bromophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(3-bromophenyl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C14H15BrN2O2/c1-9(2)7-17-8-12(14(18)19)13(16-17)10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,18,19)