(phenylmethyl) 2-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrazolidine-1-carboxylate CAS Name: 2-[oxo-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrazolidine-1-carboxylate Traditional Name: 2-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C16H15F3N4O3 MolecularWeight: 368.31051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3=C(NN=C3)C(F)(F)F

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3=C(NN=C3)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O3/c17-16(18,19)13-12(9-20-21-13)14(24)22-7-4-8-23(22)15(25)26-10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,20,21)