31037-02-2,MFCD00003294
Catalog No.:AA0031VT

31037-02-2 | Ethyl 5-amino-1-methylpyrazole-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$6.00   $4.00
- +
10g
97%
in stock  
$7.00   $5.00
- +
25g
97%
in stock  
$10.00   $7.00
- +
100g
97%
in stock  
$26.00   $19.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0031VT
Chemical Name:
Ethyl 5-amino-1-methylpyrazole-4-carboxylate
CAS Number:
31037-02-2
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD00003294
SMILES:
CCOC(=O)c1cnn(c1N)C
Properties
Properties
 
BP:
300.5°C at 760 mmHg  
Form:
Solid  
MP:
101-102 °C  
Stability:
Hygroscopic  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2018,vol.61,#19,p.8670-8692

[2]BioorganicandMedicinalChemistryLetters,2004,vol.14,#17,p.4585-4589

[3]JournalofHeterocyclicChemistry,2007,vol.44,#4,p.749-755

[4]Patent:EP1512687,2005,A1,.Locationinpatent:Page/Pagecolumn6

[5]Patent:US5498630,1996,A,

[6]PakistanJournalofScientificandIndustrialResearch,2005,vol.48,#5,p.318-321

[1]JournalofOrganicChemistry,2016,vol.81,#11,p.4883-4889

[2]JournalofHeterocyclicChemistry,2014,vol.51,#SUPPL.1,p.E216-E221

[3]Patent:US4620865,1986,A,

[4]Patent:WO2008/52974,2008,A1,.Locationinpatent:Page/Pagecolumn42

[5]BioorganicandMedicinalChemistry,2009,vol.17,#9,p.3379-3387

[6]Patent:WO2007/62805,2007,A1,.Locationinpatent:Page/Pagecolumn68

[1]JournalofHeterocyclicChemistry,2001,vol.38,#5,p.1045-1050

[2]Patent:US5849779,1998,A,

[3]HelveticaChimicaActa,1959,vol.42,p.349,358

[1]EuropeanJournalofMedicinalChemistry,2017,vol.136,p.330-333

[1]OrganicLetters,2015,vol.17,#12,p.2964-2967

[2]OrganicLetters,2015,vol.17,#12,p.2964-2967

Downstream Synthesis Route

[1]JournalofHeterocyclicChemistry,2001,vol.38,p.1045-1050

[2]Patent:US5849779,1998,A

[3]HelveticaChimicaActa,1959,vol.42,p.349,358

[1]LiebigsAnnalenderChemie,1985,p.1910-1916

[2]Heterocycles,1988,vol.27,p.105-112

[3]RSCAdvances,2014,vol.4,p.1782-1793

[1]JournalofMedicinalChemistry,2018,vol.61,p.8670-8692

[2]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.4585-4589

[3]Patent:EP1512687,2005,A1.Locationinpatent:Page/Pagecolumn6

[4]JournalofMedicinalChemistry,1989,vol.32,p.2573-2582

[1]Wamhoff,Heinrich;Haffmanns,Guenter[ChemischeBerichte,1984,vol.117,#2,p.585-621]

[2]Taylor;Patel[JournalofHeterocyclicChemistry,1992,vol.28,#8,p.1857-1861]

[1]LiebigsAnnalenderChemie,1985,p.1910-1916

[2]JournalofHeterocyclicChemistry,2007,vol.44,p.749-755

[3]LiebigsAnnalenderChemie,1985,p.1910-1916

Literature

Title: 2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists.

Journal: Journal of medicinal chemistry 20081009

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Additional Info:
SDS
Tags:31037-02-2 Molecular Formula|31037-02-2 MDL|31037-02-2 SMILES|31037-02-2 Ethyl 5-amino-1-methylpyrazole-4-carboxylate
Catalog No.: AA0031VT
31037-02-2,MFCD00003294
31037-02-2 | Ethyl 5-amino-1-methylpyrazole-4-carboxylate
Pack Size: 5g
Purity: 97%
in stock
$6.00 $4.00
Pack Size: 10g
Purity: 97%
in stock
$7.00 $5.00
Pack Size: 25g
Purity: 97%
in stock
$10.00 $7.00
Pack Size: 100g
Purity: 97%
in stock
$26.00 $19.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0031VT
Chemical Name: Ethyl 5-amino-1-methylpyrazole-4-carboxylate
CAS Number: 31037-02-2
Molecular Formula: C7H11N3O2
Molecular Weight: 169.1811
MDL Number: MFCD00003294
SMILES: CCOC(=O)c1cnn(c1N)C
Properties
BP: 300.5°C at 760 mmHg  
Form: Solid  
MP: 101-102 °C  
Stability: Hygroscopic  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 174  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Upstream Synthesis Route
94-05-3    60-34-4    31037-02-2 

[1]JournalofMedicinalChemistry,2018,vol.61,#19,p.8670-8692

[2]BioorganicandMedicinalChemistryLetters,2004,vol.14,#17,p.4585-4589

[3]JournalofHeterocyclicChemistry,2007,vol.44,#4,p.749-755

[4]Patent:EP1512687,2005,A1,.Locationinpatent:Page/Pagecolumn6

[5]Patent:US5498630,1996,A,

[6]PakistanJournalofScientificandIndustrialResearch,2005,vol.48,#5,p.318-321

60-34-4    94-05-3    31037-02-2 

[1]JournalofOrganicChemistry,2016,vol.81,#11,p.4883-4889

[2]JournalofHeterocyclicChemistry,2014,vol.51,#SUPPL.1,p.E216-E221

[3]Patent:US4620865,1986,A,

[4]Patent:WO2008/52974,2008,A1,.Locationinpatent:Page/Pagecolumn42

[5]BioorganicandMedicinalChemistry,2009,vol.17,#9,p.3379-3387

[6]Patent:WO2007/62805,2007,A1,.Locationinpatent:Page/Pagecolumn68

42466-67-1    60-34-4    31037-02-2 

[1]JournalofHeterocyclicChemistry,2001,vol.38,#5,p.1045-1050

[2]Patent:US5849779,1998,A,

[3]HelveticaChimicaActa,1959,vol.42,p.349,358

42466-67-1    22038-72-8    31037-02-2 

[1]EuropeanJournalofMedicinalChemistry,2017,vol.136,p.330-333

60-34-4    94-05-3    31037-02-2    21230-43-3 

[1]OrganicLetters,2015,vol.17,#12,p.2964-2967

[2]OrganicLetters,2015,vol.17,#12,p.2964-2967

Downstream Synthesis Route
42466-67-1    60-34-4    31037-02-2 

[1]JournalofHeterocyclicChemistry,2001,vol.38,p.1045-1050

[2]Patent:US5849779,1998,A

[3]HelveticaChimicaActa,1959,vol.42,p.349,358

31037-02-2    98-88-4    99347-01-0 

[1]LiebigsAnnalenderChemie,1985,p.1910-1916

[2]Heterocycles,1988,vol.27,p.105-112

[3]RSCAdvances,2014,vol.4,p.1782-1793

31037-02-2    1493-27-2    74772-07-9 

[1]JournalofMedicinalChemistry,2018,vol.61,p.8670-8692

[2]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.4585-4589

[3]Patent:EP1512687,2005,A1.Locationinpatent:Page/Pagecolumn6

[4]JournalofMedicinalChemistry,1989,vol.32,p.2573-2582

31037-02-2    603-35-0    90543-06-9 

[1]Wamhoff,Heinrich;Haffmanns,Guenter[ChemischeBerichte,1984,vol.117,#2,p.585-621]

[2]Taylor;Patel[JournalofHeterocyclicChemistry,1992,vol.28,#8,p.1857-1861]

31037-02-2    99347-21-4 

[1]LiebigsAnnalenderChemie,1985,p.1910-1916

[2]JournalofHeterocyclicChemistry,2007,vol.44,p.749-755

[3]LiebigsAnnalenderChemie,1985,p.1910-1916

Literature fold

Title: 2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists.

Journal: Journal of medicinal chemistry20081009

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