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Home Other Building Blocks 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one

2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one

CAS No.:
86-92-0
Catalog Number:
AG003FSW
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$50
- +
500g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003FSW
Chemical Name:
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CAS Number:
86-92-0
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD00035708
IUPAC Name:
5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3
InChI Key:
IOQOLGUXWSBWHR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1N=C(CC1=O)C
EC Number:
201-708-4
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties