3-[(2-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(2-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(2-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(2-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(2-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(2-fluorobenzyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C11H10FN3O2 MolecularWeight: 235.214403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NNC(=C2)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NNC(=C2)C(=O)O)F

InChI

InChI=1S/C11H10FN3O2/c12-8-4-2-1-3-7(8)6-13-10-5-9(11(16)17)14-15-10/h1-5H,6H2,(H,16,17)(H2,13,14,15)