N-(3-ethynylphenyl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(3-ethynylphenyl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-methyl-pyrazole-4-carboxamide Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CN1C=C(C=N1)C(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C13H11N3O/c1-3-10-5-4-6-12(7-10)15-13(17)11-8-14-16(2)9-11/h1,4-9H,2H3,(H,15,17)