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1008-79-3,MFCD00129721
Catalog No.:AA0002UJ
1008-79-3 | 1-Phenyl-1h-pyrazol-3(2h)-one
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Purity
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Price(USD)
Quantity
  
100mg
97%
2 weeks  
$200.00   $140.00
- +
250mg
97%
2 weeks  
$286.00   $200.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0002UJ
Chemical Name:
1-Phenyl-1h-pyrazol-3(2h)-one
CAS Number:
1008-79-3
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00129721
IUPAC Name:
2-phenyl-1H-pyrazol-5-one
InChI:
InChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChI Key:
MKMDCEXRIPLNGJ-UHFFFAOYSA-N
SMILES:
O=c1ccn([nH]1)c1ccccc1
Properties
Computed Properties
 
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1008-79-3 
1-phenyl-1H-pyrazol-3(2H)-one 
2-phenyl-3-pyrazolin-5-one 
1-phenylpyrazolone 
AC1LC5KF 
1-phenyl-3-hydroxypyrazole 
Cambridge id 5108106 
TimTec1_002962 
1-phenyl-1H-pyrazol-3-on 
MLS000717976 
SCHEMBL482140 
ARONIS003309 
1-Phenyl-1,2-dihydro-3H-pyrazol-3-one 
1H-pyrazol-3-ol, 1-phenyl- 
CHEMBL1481830 
CTK8A0596 
KS-00000TNJ 
HMS1542G14 
HMS2678I21 
KS-00003WC6 
MFCD00129721 
SBB087441 
STK047282 
1-phenyl-2,3-dihydro-1H-pyrazol-3-one 
STK064115 
ZINC16667309 
AKOS000493219 
AKOS003264143 
ACN-001177 
MCULE-7144074947 
AK543254 
BAS 00231907 
DS-19228 
SMR000279544 
1-phenyl-1H-pyrazol-3-ol 
ST040166 
3H-Pyrazol-3-one, 1,2-dihydro-1-phenyl- 
CS-0069824 
Z57248370 
F3145-2711 
CID594724 
ZINC00142771 
3H-Pyrazol-3-one,1,2-dihydro-1-phenyl- 
2-phenyl-1H-pyrazol-5-one 
1-Phenyl-1H-pyrazole-3-ol 
3-hydroxy-1-phenyl-1H-pyrazole 
MKMDCEXRIPLNGJ-UHFFFAOYSA-N 
1-Phenyl-1,2-dihydro-pyrazol-3-one 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Novel laccase redox mediators: spectral, electrochemical, and kinetic properties.

Journal: Applied biochemistry and biotechnology 20031201

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