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2311-90-2

2311-90-2 | Acetamide, N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-

CAS No: 2311-90-2 Catalog No: AG002M88 MDL No:

Product Description

Catalog Number:
AG002M88
Chemical Name:
Acetamide, N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-
CAS Number:
2311-90-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
InChI:
InChI=1S/C11H11N3O2/c1-8(15)12-10-7-11(16)14(13-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15)
InChI Key:
BSNHWIKRKKJFPZ-UHFFFAOYSA-N
SMILES:
CC(=O)NC1=NN(C(=O)C1)c1ccccc1

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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

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