5-methyl-3-phenethyl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-phenethyl-1H-pyrazole-4-carboxylic acid Openeye Name: 5-methyl-3-phenethyl-1H-pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-phenethyl-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-methyl-3-phenethyl-1H-pyrazole-4-carboxylic acid Traditional Name: 5-methyl-3-phenethyl-1H-pyrazole-4-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)CCC2=CC=CC=C2)C(=O)O

InChI

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