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103646-82-8,MFCD00052944
Catalog No.:AA008SGS

103646-82-8 | 5-Amino-1-(4-methylphenyl)-1h-pyrazole-4-carbonitrile

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1g
95%
in stock  
$70.00   $49.00
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5g
95%
in stock  
$180.00   $126.00
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25g
95%
in stock  
$809.00   $567.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008SGS
Chemical Name:
5-Amino-1-(4-methylphenyl)-1h-pyrazole-4-carbonitrile
CAS Number:
103646-82-8
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD00052944
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
261  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Upstream Synthesis Route

[1]MedicinalChemistryResearch,2018,vol.27,#8,p.1876-1884

[2]HeterocyclicCommunications,2005,vol.11,#5,p.385-388

[3]EuropeanJournalofMedicinalChemistry,2008,vol.43,#4,p.771-780

[4]JournalofOrganicChemistry,1956,vol.21,p.1240,1242

[5]BioorganicandMedicinalChemistryLetters,2004,vol.14,#9,p.2121-2125

[6]ZeitschriftfurNaturforschung-SectionBJournalofChemicalSciences,2009,vol.64,#7,p.840-846

[7]Molecules,2015,vol.20,#1,p.807-821

[8]RSCAdvances,2015,vol.5,#68,p.55179-55185

[9]RSCAdvances,2016,vol.6,#29,p.24491-24500

[10]BioorganicandMedicinalChemistryLetters,2016,vol.26,#7,p.1732-1737

[1]Patent:US2007/161662,2007,A1,

[2]ChineseChemicalLetters,2017,vol.28,#2,p.377-382

[1]EuropeanJournalofMedicinalChemistry,2018,vol.157,p.81-87

[2]DrugDevelopmentResearch,2018,

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1956,vol.21,p.1240,1242

[1]JournalofOrganicChemistry,1956,vol.21,p.1240,1242

[2]Patent:US2007/161662,2007,A1

[1]MedicinalChemistryResearch,2018,vol.27,p.1876-1884

[2]BioorganicandMedicinalChemistry,2019,vol.27,p.3061-3069

[3]HeterocyclicCommunications,2005,vol.11,p.385-388

[4]EuropeanJournalofMedicinalChemistry,2008,vol.43,p.771-780

[5]JournalofOrganicChemistry,1956,vol.21,p.1240,1242

[6]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.2121-2125

[7]ZeitschriftfurNaturforschung,B:ChemicalSciences,2009,vol.64,p.840-846

[8]Molecules,2015,vol.20,p.807-821

[9]RSCAdvances,2015,vol.5,p.55179-55185

[10]RSCAdvances,2016,vol.6,p.24491-24500

[11]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.1732-1737

[1]BioorganicandMedicinalChemistry,2019,vol.27,p.3061-3069

[2]ArchivderPharmazie,2014,vol.347,p.559-565

[3]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.2121-2125

[4]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.1732-1737

103646-82-8   
5,5'-(diazene-1,2-diyl)bis(1-(3-bromo-4-methylphenyl)-1H-pyrazole-4-carbonitrile) 

[1]TetrahedronLetters,2007,vol.48,p.8819-8822

Literature

Title: Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors.

Journal: European journal of medicinal chemistry 20080401

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

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