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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=CC=C2)Cl)CC(C)(C)C)C(=O)O

InChI

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