methyl 3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: methyl 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid methyl ester Formula: C10H15F3N2O3 MolecularWeight: 268.23291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC

Isomeric SMILES

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC

InChI

InChI=1S/C10H15F3N2O3/c1-6(2)4-7-5-9(17,10(11,12)13)15(14-7)8(16)18-3/h6,17H,4-5H2,1-3H3