3-(4-propylphenyl)-1H-pyrazole-5-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-2-3-9-4-6-10(7-5-9)11-8-12(13(16)17)15-14-11/h4-8H,2-3H2,1H3,(H,14,15)(H,16,17)