4-bromanyl-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-bromo-5-isobutyl-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-2-methyl-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 4-bromo-5-isobutyl-2-methyl-pyrazole-3-carboxylic acid Formula: C9H13BrN2O2 MolecularWeight: 261.11572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=C1Br)C(=O)O)C

Isomeric SMILES

CC(C)CC1=NN(C(=C1Br)C(=O)O)C

InChI

InChI=1S/C9H13BrN2O2/c1-5(2)4-6-7(10)8(9(13)14)12(3)11-6/h5H,4H2,1-3H3,(H,13,14)