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

Systemtic Name: 3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-butylphenyl)-1H-pyrazole-5-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)