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Home Other Building Blocks 1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea

1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea

CAS No.:
878465-47-5
Catalog Number:
AG019M4B
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
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Product Description
Catalog Number:
AG019M4B
Chemical Name:
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CAS Number:
878465-47-5
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
MDL Number:
MFCD08245257
IUPAC Name:
1-phenyl-3-(2-propan-2-ylpyrazol-3-yl)urea
InChI:
InChI=1S/C13H16N4O/c1-10(2)17-12(8-9-14-17)16-13(18)15-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,15,16,18)
InChI Key:
IUPDIFIBOIPXEL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccnn1C(C)C)Nc1ccccc1
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties