ethyl 5-hex-1-ynyl-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-hex-1-ynyl-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-hex-1-ynyl-1H-pyrazole-3-carboxylate CAS Name: 5-hex-1-ynyl-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hex-1-ynyl-1H-pyrazole-3-carboxylate Traditional Name: 5-hex-1-ynyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=NN1)C(=O)OCC

Isomeric SMILES

CCCCC#CC1=CC(=NN1)C(=O)OCC

InChI

InChI=1S/C12H16N2O2/c1-3-5-6-7-8-10-9-11(14-13-10)12(15)16-4-2/h9H,3-6H2,1-2H3,(H,13,14)