3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl benzoate

Systemtic Name: 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl benzoate Openeye Name: 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl benzoate CAS Name: benzoic acid 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl ester IUPAC Name: 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl benzoate Traditional Name: benzoic acid 3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl ester Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCC2=C(NN=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCC2=C(NN=C2)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O2/c15-14(16,17)12-11(9-18-19-12)7-4-8-21-13(20)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)