5-azanyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazole-4-carboxylic acid Openeye Name: 5-amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid CAS Name: 5-amino-1-(2,2,2-trifluoroethyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Traditional Name: 5-amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid Formula: C6H6F3N3O2 MolecularWeight: 209.12595

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C(=C1C(=O)O)N)CC(F)(F)F

Isomeric SMILES

C1=NN(C(=C1C(=O)O)N)CC(F)(F)F

InChI

InChI=1S/C6H6F3N3O2/c7-6(8,9)2-12-4(10)3(1-11-12)5(13)14/h1H,2,10H2,(H,13,14)