5-(2-phenylpropyl)-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-phenylpropyl)-1H-pyrazole-3-carboxylic acid Openeye Name: 5-(2-phenylpropyl)-1H-pyrazole-3-carboxylic acid CAS Name: 5-(2-phenylpropyl)-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-(2-phenylpropyl)-1H-pyrazole-3-carboxylic acid Traditional Name: 5-(2-phenylpropyl)-1H-pyrazole-3-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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