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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=CC(=NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=CC(=NN2)C(=O)O

InChI

InChI=1S/C13H14N2O2/c16-13(17)12-9-11(14-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)