5-ethyl-1-(2-methylphenyl)-3-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(2-methylphenyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(o-tolyl)-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(2-methylphenyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-(2-methylphenyl)-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(o-tolyl)-3-propyl-pyrazole-4-carboxylic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)CC)C2=CC=CC=C2C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)CC)C2=CC=CC=C2C

InChI

InChI=1S/C16H20N2O2/c1-4-8-12-15(16(19)20)13(5-2)18(17-12)14-10-7-6-9-11(14)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20)