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Home Other Building Blocks 1-(4-Chlorophenyl)-3-(5-Isopropyl-1-Methyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-4-Yl)Urea

1-(4-Chlorophenyl)-3-(5-Isopropyl-1-Methyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-4-Yl)Urea

CAS No.:
903895-98-7
Catalog Number:
AG01DG2D
Molecular Formula:
C20H21ClN4O2
Molecular Weight:
384.8593
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Product Description
Catalog Number:
AG01DG2D
Chemical Name:
1-(4-Chlorophenyl)-3-(5-Isopropyl-1-Methyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-4-Yl)Urea
CAS Number:
903895-98-7
Molecular Formula:
C20H21ClN4O2
Molecular Weight:
384.8593
MDL Number:
MFCD30182236
IUPAC Name:
1-(4-chlorophenyl)-3-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)urea
InChI:
InChI=1S/C20H21ClN4O2/c1-13(2)18-17(23-20(27)22-15-11-9-14(21)10-12-15)19(26)25(24(18)3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,22,23,27)
InChI Key:
PAEBEUZTAPIOIO-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl
UNII:
T77D5438IM
Properties
Complexity:
593  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.135g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
384.864g/mol
Monoisotopic Mass:
384.135g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Functional characterization of three mouse formyl peptide receptors. Molecular pharmacology 20130201
The pyrazolone originally reported to be a formyl peptide receptor (FPR) 2/ALX-selective agonist is instead an FPR1 and FPR2/ALX dual agonist. Journal of pharmacological sciences 20091101
New 'chemical probes' to examine the role of the hFPRL1 (or ALXR) receptor in inflammation. Bioorganic & medicinal chemistry letters 20071201
Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents. Bioorganic & medicinal chemistry letters 20060715
Properties