5-chloranyl-1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(p-tolylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(4-methylbenzyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C13H10ClF3N2O2 MolecularWeight: 318.67891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClF3N2O2/c1-7-2-4-8(5-3-7)6-19-11(14)9(12(20)21)10(18-19)13(15,16)17/h2-5H,6H2,1H3,(H,20,21)