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Home Other Building Blocks 1-(1H-Pyrazol-1-yl)ethanone

1-(1H-Pyrazol-1-yl)ethanone

CAS No.:
10199-64-1
Catalog Number:
AG00066W
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
1 week
United States
$156
- +
1g
96%
1 week
United States
$402
- +
5g
96%
1 week
United States
$1119
- +
Product Description
Catalog Number:
AG00066W
Chemical Name:
1-(1H-Pyrazol-1-yl)ethanone
CAS Number:
10199-64-1
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD01336293
IUPAC Name:
1-pyrazol-1-ylethanone
InChI:
InChI=1S/C5H6N2O/c1-5(8)7-4-2-3-6-7/h2-4H,1H3
InChI Key:
PGFTUYZICNEFJQ-UHFFFAOYSA-N
SMILES:
CC(=O)n1cccn1
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
1-[3,5-Bis(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone. Acta crystallographica. Section E, Structure reports online 20100801
1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone. Acta crystallographica. Section E, Structure reports online 20100301
Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole. European journal of medicinal chemistry 20100101
Selective inhibition of FAD and copper-dependent amine oxidases by N-acetyl pyrazole derivatives. Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20010401
Properties