5-phenethyl-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid Openeye Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid CAS Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid Traditional Name: 5-phenethyl-1H-pyrazole-3-carboxylic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=NN2)C(=O)O

InChI

InChI=1S/C12H12N2O2/c15-12(16)11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)(H,15,16)