methyl 5-ethynyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-ethynyl-1-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-ethynyl-1-methyl-pyrazole-3-carboxylate CAS Name: 5-ethynyl-1-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-ethynyl-1-methylpyrazole-3-carboxylate Traditional Name: 5-ethynyl-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C8H8N2O2 MolecularWeight: 164.16132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)OC)C#C

Isomeric SMILES

CN1C(=CC(=N1)C(=O)OC)C#C

InChI

InChI=1S/C8H8N2O2/c1-4-6-5-7(8(11)12-3)9-10(6)2/h1,5H,2-3H3