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

Systemtic Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-fluoro-benzoic acid CAS Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-fluorobenzoic acid IUPAC Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-fluorobenzoic acid Traditional Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-fluoro-benzoic acid Formula: C13H14FN3O2 MolecularWeight: 263.267563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN3O2/c1-7-11(8(2)17-16-7)6-15-9-3-4-12(14)10(5-9)13(18)19/h3-5,15H,6H2,1-2H3,(H,16,17)(H,18,19)