2-ethyl-4-[(3-fluorophenyl)methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 2-ethyl-4-[(3-fluorophenyl)methylamino]pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-4-[(3-fluorophenyl)methylamino]pyrazole-3-carboxylic acid CAS Name: 2-ethyl-4-[(3-fluorophenyl)methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 2-ethyl-4-[(3-fluorophenyl)methylamino]pyrazole-3-carboxylic acid Traditional Name: 2-ethyl-4-[(3-fluorobenzyl)amino]pyrazole-3-carboxylic acid Formula: C13H14FN3O2 MolecularWeight: 263.267563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FN3O2/c1-2-17-12(13(18)19)11(8-16-17)15-7-9-4-3-5-10(14)6-9/h3-6,8,15H,2,7H2,1H3,(H,18,19)