3-ethyl-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-ethyl-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-ethyl-5-isopropyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-ethyl-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-ethyl-5-propan-2-yl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-ethyl-5-isopropyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid Formula: C16H17F3N2O2 MolecularWeight: 326.31359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)C(C)C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H17F3N2O2/c1-4-11-13(15(22)23)14(9(2)3)21(20-11)12-8-6-5-7-10(12)16(17,18)19/h5-9H,4H2,1-3H3,(H,22,23)