4-[(4-fluorophenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[(4-fluorophenyl)methylamino]-1-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[(4-fluorophenyl)methylamino]-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[(4-fluorophenyl)methylamino]-1-methylpyrazole-3-carboxylic acid Traditional Name: 4-[(4-fluorobenzyl)amino]-1-methyl-pyrazole-3-carboxylic acid Formula: C12H12FN3O2 MolecularWeight: 249.240983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN3O2/c1-16-7-10(11(15-16)12(17)18)14-6-8-2-4-9(13)5-3-8/h2-5,7,14H,6H2,1H3,(H,17,18)