ethyl 5-heptyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-heptyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-heptyl-1H-pyrazole-3-carboxylate CAS Name: 5-heptyl-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-heptyl-1H-pyrazole-3-carboxylate Traditional Name: 5-heptyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C13H22N2O2 MolecularWeight: 238.32598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=NN1)C(=O)OCC

Isomeric SMILES

CCCCCCCC1=CC(=NN1)C(=O)OCC

InChI

InChI=1S/C13H22N2O2/c1-3-5-6-7-8-9-11-10-12(15-14-11)13(16)17-4-2/h10H,3-9H2,1-2H3,(H,14,15)