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

Systemtic Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-3-neopentyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O2/c1-21(2,3)13-17-18(20(25)26)19(14-8-5-4-6-9-14)24(23-17)16-11-7-10-15(22)12-16/h4-12H,13H2,1-3H3,(H,25,26)