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Home Other Building Blocks 2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide

2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide

CAS No.:
882224-64-8
Catalog Number:
AG019I98
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
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Product Description
Catalog Number:
AG019I98
Chemical Name:
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CAS Number:
882224-64-8
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
MDL Number:
MFCD03985221
IUPAC Name:
2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
InChI:
InChI=1S/C14H14N4O/c1-10-3-5-12(6-4-10)18-13(9-11(2)17-18)16-14(19)7-8-15/h3-6,9H,7H2,1-2H3,(H,16,19)
InChI Key:
OMUUIKXCAZSGPT-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1cc(nn1c1ccc(cc1)C)C
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
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