4-[[2,5-bis(fluoranyl)phenyl]methylamino]-1-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[2,5-bis(fluoranyl)phenyl]methylamino]-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(2,5-difluorophenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[(2,5-difluorophenyl)methylamino]-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(2,5-difluorophenyl)methylamino]-1-methylpyrazole-3-carboxylic acid Traditional Name: 4-[(2,5-difluorobenzyl)amino]-1-methyl-pyrazole-3-carboxylic acid Formula: C12H11F2N3O2 MolecularWeight: 267.231446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)O)NCC2=C(C=CC(=C2)F)F

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O)NCC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C12H11F2N3O2/c1-17-6-10(11(16-17)12(18)19)15-5-7-4-8(13)2-3-9(7)14/h2-4,6,15H,5H2,1H3,(H,18,19)