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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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