3-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrazol-5-yl]propanoic acid

Systemtic Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrazol-5-yl]propanoic acid Openeye Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrazol-5-yl]propanoic acid CAS Name: 3-[4-[oxo-[4-(trifluoromethyl)anilino]methyl]-1H-pyrazol-5-yl]propanoic acid IUPAC Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrazol-5-yl]propanoic acid Traditional Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrazol-5-yl]propionic acid Formula: C14H12F3N3O3 MolecularWeight: 327.25859

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(NN=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(NN=C2)CCC(=O)O

InChI

InChI=1S/C14H12F3N3O3/c15-14(16,17)8-1-3-9(4-2-8)19-13(23)10-7-18-20-11(10)5-6-12(21)22/h1-4,7H,5-6H2,(H,18,20)(H,19,23)(H,21,22)