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

Systemtic Name: 4-[[3,5-bis(fluoranyl)phenyl]methylamino]-1-ethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(3,5-difluorophenyl)methylamino]-1-ethyl-pyrazole-3-carboxylic acid CAS Name: 4-[(3,5-difluorophenyl)methylamino]-1-ethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(3,5-difluorophenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid Traditional Name: 4-[(3,5-difluorobenzyl)amino]-1-ethyl-pyrazole-3-carboxylic acid Formula: C13H13F2N3O2 MolecularWeight: 281.258026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=CC(=C2)F)F

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O)NCC2=CC(=CC(=C2)F)F

InChI

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