5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,4-bis(fluoranyl)benzoic acid

Systemtic Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,4-bis(fluoranyl)benzoic acid Openeye Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,4-difluoro-benzoic acid CAS Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,4-difluorobenzoic acid IUPAC Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,4-difluorobenzoic acid Traditional Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2,4-difluoro-benzoic acid Formula: C13H13F2N3O2 MolecularWeight: 281.258026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC2=C(C=C(C(=C2)C(=O)O)F)F

Isomeric SMILES

CC1=C(C(=NN1)C)CNC2=C(C=C(C(=C2)C(=O)O)F)F

InChI

InChI=1S/C13H13F2N3O2/c1-6-9(7(2)18-17-6)5-16-12-3-8(13(19)20)10(14)4-11(12)15/h3-4,16H,5H2,1-2H3,(H,17,18)(H,19,20)