methyl 5-phenethyl-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-phenethyl-1H-pyrazole-3-carboxylate Openeye Name: methyl 5-phenethyl-1H-pyrazole-3-carboxylate CAS Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-phenethyl-1H-pyrazole-3-carboxylate Traditional Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid methyl ester Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(=C1)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NNC(=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-17-13(16)12-9-11(14-15-12)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)