ethyl 3-azanyl-4-[(2-chloranyl-5-fluoranyl-phenyl)methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 3-azanyl-4-[(2-chloranyl-5-fluoranyl-phenyl)methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 3-amino-4-[(2-chloro-5-fluoro-phenyl)methyl]-1H-pyrazole-5-carboxylate CAS Name: 3-amino-4-[(2-chloro-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[(2-chloro-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxylate Traditional Name: 3-amino-4-(2-chloro-5-fluoro-benzyl)-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C13H13ClFN3O2 MolecularWeight: 297.712623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)N)CC2=C(C=CC(=C2)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)N)CC2=C(C=CC(=C2)F)Cl

InChI

InChI=1S/C13H13ClFN3O2/c1-2-20-13(19)11-9(12(16)18-17-11)6-7-5-8(15)3-4-10(7)14/h3-5H,2,6H2,1H3,(H3,16,17,18)