5-propyl-1-[2-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C22H29F3N2O2 MolecularWeight: 410.47307

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC=C2C(F)(F)F)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H29F3N2O2/c1-6-9-18-19(20(28)29)16(12-14(2)13-21(3,4)5)26-27(18)17-11-8-7-10-15(17)22(23,24)25/h7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,28,29)