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

Systemtic Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 5-propyl-2-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O2/c1-2-3-10-8-12(13(20)21)19(18-10)11-6-4-9(5-7-11)14(15,16)17/h4-8H,2-3H2,1H3,(H,20,21)