2-{[N-(5-oxo-1-phenyl-2-pyrazolin-3-yl)carbamoyl]methyl}icosanoic acid

2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]icosanoic acid

Also Known As: BAS 01118496|2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]icosanoic acid|2-{[N-(5-oxo-1-phenyl-2-pyrazolin-3-yl)carbamoyl]methyl}icosanoic acid|2-(2-OXO-2-((5-OXO-1-PH-4,5-DIHYDRO-1H-PYRAZOL-3-YL)AMINO)ETHYL)ICOSANOIC ACID|2-(2-oxo-2-((5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)amino)ethyl)icosanoic acid|2-[(5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-ylcarbamoyl)-methyl]-icosanoic acid|2-{2-oxo-2-[(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)amino]ethyl}icosanoic acid

Molecular Formula	C31H49N3O4
Molecular Weight	527.3723 g/mol
LogP	7.5955
Topological Polar Surface Area	99.07 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	21
Exact Mass	527.3723
Monoisotopic Mass	527.3723
Heavy Atoms	38
Complexity	855.94037

Chemical Identifiers

CAS Number	28993-73-9
SMILES	CCCCCCCCCCCCCCCCCCC(CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)C(=O)O