ethyl 5-azanyl-1-[[2,3-bis(fluoranyl)phenyl]methyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[[2,3-bis(fluoranyl)phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-amino-1-[(2,3-difluorophenyl)methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate Traditional Name: 5-amino-1-(2,3-difluorobenzyl)pyrazole-3-carboxylic acid ethyl ester Formula: C13H13F2N3O2 MolecularWeight: 281.258026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)N)CC2=C(C(=CC=C2)F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)N)CC2=C(C(=CC=C2)F)F

InChI

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