methyl 3-ethynyl-5-methyl-1,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl 3-ethynyl-5-methyl-1,4-dihydropyrazole-5-carboxylate Openeye Name: methyl 3-ethynyl-5-methyl-1,4-dihydropyrazole-5-carboxylate CAS Name: 3-ethynyl-5-methyl-1,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethynyl-5-methyl-1,4-dihydropyrazole-5-carboxylate Traditional Name: 5-ethynyl-3-methyl-2-pyrazoline-3-carboxylic acid methyl ester Formula: C8H10N2O2 MolecularWeight: 166.1772

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NN1)C#C)C(=O)OC

Isomeric SMILES

CC1(CC(=NN1)C#C)C(=O)OC

InChI

InChI=1S/C8H10N2O2/c1-4-6-5-8(2,10-9-6)7(11)12-3/h1,10H,5H2,2-3H3