2-[3-(butylamino)-5-phenyl-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-(butylamino)-5-phenyl-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3-(butylamino)-5-phenyl-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[3-(butylamino)-5-phenyl-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[3-(butylamino)-5-phenyl-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[3-(butylamino)-5-phenyl-1H-pyrazol-4-yl]acetic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NNC(=C1CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NNC(=C1CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2/c1-2-3-9-16-15-12(10-13(19)20)14(17-18-15)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,19,20)(H2,16,17,18)