1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-isopropyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C18H23ClN2O2 MolecularWeight: 334.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H23ClN2O2/c1-11(2)16-15(17(22)23)14(10-18(3,4)5)20-21(16)13-8-6-7-12(19)9-13/h6-9,11H,10H2,1-5H3,(H,22,23)