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1001020-14-9,MFCD07375188
Catalog No.:AA0000VW

1001020-14-9 | 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$53.00   $37.00
- +
1g
97%
in stock  
$148.00   $103.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0000VW
Chemical Name:
3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
CAS Number:
1001020-14-9
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD07375188
SMILES:
O=Cc1c[nH]nc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Upstream Synthesis Route

[1]Patent:US2009/131455,2009,A1,.Locationinpatent:Page/Pagecolumn8

[2]Patent:WO2008/3452,2008,A1,.Locationinpatent:Page/Pagecolumn53

Downstream Synthesis Route

[1]Patent:US2009/131455,2009,A1.Locationinpatent:Page/Pagecolumn8

[2]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn53

1001020-14-9    1001020-19-4   
2-(2-(4-formyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-N-methyl-4,5,6,7-tetrahydrobenzobthiophene-3-carboxamide 

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn69

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn74

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn78

1001020-14-9    1001020-29-6   
2-(3-(4-formyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanamido)-N-methyl-4,5,6,7-tetrahydrobenzobthiophene-3-carboxamide 

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn81-82

Literature
Quotation Request
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SDS
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Tags:1001020-14-9 Molecular Formula|1001020-14-9 MDL|1001020-14-9 SMILES|1001020-14-9 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
Catalog No.: AA0000VW
1001020-14-9,MFCD07375188
1001020-14-9 | 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
Pack Size： 250mg
Purity： 97%
in stock
$53.00 $37.00
Pack Size： 1g
Purity： 97%
in stock
$148.00 $103.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0000VW
Chemical Name: 3-(Trifluoromethyl)-1h-pyrazole-4-carbaldehyde
CAS Number: 1001020-14-9
Molecular Formula: C5H3F3N2O
Molecular Weight: 164.0853
MDL Number: MFCD07375188
SMILES: O=Cc1c[nH]nc1C(F)(F)F
Properties
Complexity: 158  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Upstream Synthesis Route
1001020-13-8    1001020-14-9 

[1]Patent:US2009/131455,2009,A1,.Locationinpatent:Page/Pagecolumn8

[2]Patent:WO2008/3452,2008,A1,.Locationinpatent:Page/Pagecolumn53

Downstream Synthesis Route
1001020-13-8    1001020-14-9 

[1]Patent:US2009/131455,2009,A1.Locationinpatent:Page/Pagecolumn8

[2]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn53

1001020-14-9    1001020-19-4   
2-(2-(4-formyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-N-methyl-4,5,6,7-tetrahydrobenzobthiophene-3-carboxamide 

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn69

1001020-14-9    1001020-23-0    1001020-24-1 

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn74

1001020-14-9    302936-04-5    1001020-25-2 

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn78

1001020-14-9    1001020-29-6   
2-(3-(4-formyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanamido)-N-methyl-4,5,6,7-tetrahydrobenzobthiophene-3-carboxamide 

[1]Patent:WO2008/3452,2008,A1.Locationinpatent:Page/Pagecolumn81-82

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