1-phenyl-5-propyl-pyrazole-4-carboxylate

Systemtic Name: 1-phenyl-5-propyl-pyrazole-4-carboxylate Openeye Name: 1-phenyl-5-propyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-5-propyl-4-pyrazolecarboxylate IUPAC Name: 1-phenyl-5-propylpyrazole-4-carboxylate Traditional Name: 1-phenyl-5-propyl-pyrazole-4-carboxylate Formula: C13H13N2O2- MolecularWeight: 229.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c1-2-6-12-11(13(16)17)9-14-15(12)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H,16,17)/p-1