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100159-47-5,MFCD12026321
Catalog No.:AA000117
100159-47-5 | 1H-Pyrazole, 1-(phenylmethoxy)-
Pack Size
Purity
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Price(USD)
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100mg
95.0%
1 week  
$172.00
- +
250mg
95.0%
1 week  
$233.00
- +
500mg
95.0%
1 week  
$407.00
- +
1g
95.0%
1 week  
$533.00
- +
2.5g
95.0%
1 week  
$1,018.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000117
Chemical Name:
1H-Pyrazole, 1-(phenylmethoxy)-
CAS Number:
100159-47-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD12026321
IUPAC Name:
1-phenylmethoxypyrazole
InChI:
InChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2
InChI Key:
XQEPQBYKPDAGIZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COn1cccn1
Properties
Computed Properties
 
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1H-Pyrazole, 1-(phenylmethoxy)- 
100159-47-5 
XQEPQBYKPDAGIZ-UHFFFAOYSA-N 
ZINC34115605 
AKOS005263920 
CS-0080698 
1-phenylmethoxypyrazole 
CID10058015 
1-(Benzyloxy)-1H-pyrazole 
1-(BENZYLOXY)PYRAZOLE 
N-benzyloxypyrazole 
1-benzyloxy-1H-pyrazole 
ACMC-20m38s 
SCHEMBL99339 
CTK0G9018 
DTXSID70434833 
Literature

Title: Novel 5-substituted 1-pyrazolol analogues of ibotenic acid: synthesis and pharmacology at glutamate receptors.

Journal: Bioorganic & medicinal chemistry 20070515

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