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179057-12-6,MFCD11846164
Catalog No.:AA0026NX

179057-12-6 | Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

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Purity
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Price(USD)
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250mg
95%
in stock  
$619.00   $433.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0026NX
Chemical Name:
Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester
CAS Number:
179057-12-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD11846164
SMILES:
COC(=O)c1ccc(cc1)c1ccnn1C
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1998,vol.41,p.2390-2410

[1]EuropeanJournalofMedicinalChemistry,2016,vol.117,p.47-58

[2]JournalofMedicinalChemistry,2019,vol.62,p.3268-3285

[3]JournalofMedicinalChemistry,2019,vol.62,p.7264-7288

[4]Patent:EP3124486,2017,A1.Locationinpatent:Paragraph0239;0240

Literature
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Additional Info:
SDS
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Tags:179057-12-6 Molecular Formula|179057-12-6 MDL|179057-12-6 SMILES|179057-12-6 Benzoic acid, 4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester