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116344-17-3,MFCD00068140
Catalog No.:AA000C73

116344-17-3 | 1-Phenyl-5-propyl-1h-pyrazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$47.00   $33.00
- +
1g
97%
in stock  
$108.00   $75.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000C73
Chemical Name:
1-Phenyl-5-propyl-1h-pyrazole-4-carboxylic acid
CAS Number:
116344-17-3
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD00068140
SMILES:
CCCc1c(cnn1c1ccccc1)C(=O)O
Properties
Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.6  

Downstream Synthesis Route
60710-80-7    116344-17-3   
N-(5-cyano-2-methylphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 

[1]JournalofMedicinalChemistry,2015,vol.58,p.278-293

19499-88-8    116344-17-3   
N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 

[1]Cumming,JohnG.;Debreczeni,JuditÉ.;Edfeldt,Fredrik;Evertsson,Emma;Harrison,Martin;Holdgate,GeoffreyA.;James,MichaelJ.;Lamont,ScottG.;Oldham,Keith;Sullivan,JaneE.;Wells,StuartL.[JournalofMedicinalChemistry,2015,vol.58,#1,p.278-293]

19499-88-8    116344-17-3   
N-(5-benzyloxy-2-methylphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 

[1]Cumming,JohnG.;Debreczeni,JuditÉ.;Edfeldt,Fredrik;Evertsson,Emma;Harrison,Martin;Holdgate,GeoffreyA.;James,MichaelJ.;Lamont,ScottG.;Oldham,Keith;Sullivan,JaneE.;Wells,StuartL.[JournalofMedicinalChemistry,2015,vol.58,#1,p.278-293]

1671-48-3    116344-17-3   
N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide 

[1]Cumming,JohnG.;Debreczeni,JuditÉ.;Edfeldt,Fredrik;Evertsson,Emma;Harrison,Martin;Holdgate,GeoffreyA.;James,MichaelJ.;Lamont,ScottG.;Oldham,Keith;Sullivan,JaneE.;Wells,StuartL.[JournalofMedicinalChemistry,2015,vol.58,#1,p.278-293]

Literature
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SDS
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