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Home Other Building Blocks N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)acetamide

N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)acetamide

CAS No.:
184172-87-0
Catalog Number:
AG01ELRT
Molecular Formula:
C10H17N3O
Molecular Weight:
195.2615
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Product Description
Catalog Number:
AG01ELRT
Chemical Name:
N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)acetamide
CAS Number:
184172-87-0
Molecular Formula:
C10H17N3O
Molecular Weight:
195.2615
MDL Number:
MFCD07392865
IUPAC Name:
N-(5-tert-butyl-2-methylpyrazol-3-yl)acetamide
InChI:
InChI=1S/C10H17N3O/c1-7(14)11-9-6-8(10(2,3)4)12-13(9)5/h6H,1-5H3,(H,11,14)
InChI Key:
QGGPRRFHNQJPRO-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(nn1C)C(C)(C)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.137g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.266g/mol
Monoisotopic Mass:
195.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties