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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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