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10199-64-1,MFCD01336293
Catalog No.:AA000644
10199-64-1 | 1-(1H-Pyrazol-1-yl)ethanone
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250mg
96%
1 week  
$193.00   $135.00
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1g
96%
1 week  
$474.00   $332.00
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5g
96%
1 week  
$1,293.00   $905.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000644
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
Computed 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  

Synonyms
 
1-(1H-Pyrazol-1-yl)ethanone 
10199-64-1 
N-acetylpyrazole 
PubChem13397 
AC1LC7BN 
1-Pyrazol-1-ylmethanone 
1-(1-pyrazolyl)ethanone 
1-Acetyl-1H-pyrazole # 
1H-Pyrazole, 1-acetyl- 
SCHEMBL1680220 
CTK4A0534 
DTXSID40338470 
1-Pyrazol-1-yl-ethanone 
Ethanone,1-(1H-pyrazol-1-yl)- 
ZINC5383527 
Ethanone, 1-(1H-pyrazol-1-yl)- 
CP-376 
FCH922412 
MFCD01336293 
AKOS003851348 
ref dupl: 1-h-pyrazol-1-yl-ethanone 
AC-6341 
AJ-53948 
1-pyrazol-1-ylethanone 
AN-10139 
AS-10657 
AX8041105 
DB-011828 
FT-0690953 
X-3793 
199P641 
A800496 
I14-8835 
InChI=1/C5H6N2O/c1-5(8)7-4-2-3-6-7/h2-4H,1H 
1-Acetylpyrazole 
CID549278 
cis-Dichlorobis(triphenylphosphine)platinum (II) 
N/A 
1-h-pyrazol-1-yl-ethanone 
1-acetyl-pyrazole 
PGFTUYZICNEFJQ-UHFFFAOYSA-N 
1-Acetyl-1H-pyrazole 
1-acetylprazole 
Literature

Title: 1-[3,5-Bis(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: 1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Journal: Acta crystallographica. Section E, Structure reports online 20100301

Title: Synthesis, anticonvulsant activity and 3D-QSAR study of some prop-2-eneamido and 1-acetyl-pyrazolin derivatives of aminobenzothiazole.

Journal: European journal of medicinal chemistry 20100101

Title: Selective inhibition of FAD and copper-dependent amine oxidases by N-acetyl pyrazole derivatives.

Journal: Inflammation research : official journal of the European Histamine Research Society ... [et al.] 20010401

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