1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(p-tolylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-methylbenzyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C13H11F3N2O2 MolecularWeight: 284.23385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2/c1-8-2-4-9(5-3-8)7-18-11(13(14,15)16)10(6-17-18)12(19)20/h2-6H,7H2,1H3,(H,19,20)