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

Systemtic Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-neopentyl-pyrazole-4-carboxylic acid Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H21ClN2O2/c1-5-14-15(16(21)22)13(10-17(2,3)4)19-20(14)12-8-6-7-11(18)9-12/h6-9H,5,10H2,1-4H3,(H,21,22)