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1572-10-7,MFCD00191749
Catalog No.:AA001P7Q

1572-10-7 | 3-Amino-5-phenylpyrazole

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1g
97%
in stock  
$18.00   $13.00
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5g
98%
in stock  
$23.00   $16.00
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10g
97%
in stock  
$28.00   $20.00
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25g
95%
in stock  
$40.00   $28.00
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100g
97%
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$122.00   $86.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001P7Q
Chemical Name:
3-Amino-5-phenylpyrazole
CAS Number:
1572-10-7
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD00191749
SMILES:
Nc1n[nH]c(c1)c1ccccc1
Properties
Properties
 
BP:
442.3°C at 760 mmHg  
Form:
Solid  
MP:
124-127 °C(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
143  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Zhang,Xin-Hui;Guo,Qian;Wang,Heng-Ying;Li,Yi-Han;Khamis,MussaYussuf;Ma,Li-Ying;Wang,Bo;Liu,Hong-Min[BioorganicChemistry,2021,vol.107]

[2]Dong,Jing-Jun;Li,Qing-Shan;Wang,Shu-Fu;Li,Cui-Yun;Zhao,Xin;Qiu,Han-Yue;Zhao,Meng-Yue;Zhu,Hai-Liang[OrganicandBiomolecularChemistry,2013,vol.11,#37,p.6328-6337]

[3]Sun,Lingyi;Bera,Hriday;Chui,WaiKeung[EuropeanJournalofMedicinalChemistry,2013,vol.65,p.1-11]

[4]Seidel[JournalfurpraktischeChemie(Leipzig1954),1898,vol.<2>58,p.144]

[5]Ali,KoranyA.;Ragab,EmanA.;Mloston,Grzegorz;Celeda,Malgorzata;Linden,Anthony;Heimgartner,Heinz[HelveticaChimicaActa,2013,vol.96,#4,p.633-643]

[6]Wang,Shu-Fu;Yin,Yong;Zhang,Ya-Liang;Mi,Shan-Wei;Zhao,Meng-Yue;Lv,Peng-Cheng;Wang,Bao-Zhong;Zhu,Hai-Liang[EuropeanJournalofMedicinalChemistry,2015,vol.93,p.291-299]

[7]Rana,Sandeep;Sonawane,YogeshA.;Taylor,MargaretA.;Kizhake,Smitha;Zahid,Muhammad;Natarajan,Amarnath[BioorganicandMedicinalChemistryLetters,2018,vol.28,#23-24,p.3736-3740]

[8]Qin,Qiaohua;Wu,Tianxiao;Yin,Wenbo;Sun,Yixiang;Zhang,Xiangyu;Wang,Ruifeng;Guo,Jing;Zhao,Dongmei;Cheng,Maosheng[ArchivderPharmazie,2020,vol.353,#10]

[1]GazzettaChimicaItaliana,1957,vol.87,p.597,611

[1]GazzettaChimicaItaliana,1957,vol.87,p.597,611

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2013/217682,2013,A1Locationinpatent:Paragraph0286;0287

[2]Checchietal.[GazzettaChimicaItaliana,1955,vol.85,p.1160,1167]

[3]Checchietal.[GazzettaChimicaItaliana,1955,vol.85,p.1160,1167]Allenetal.[JournalofOrganicChemistry,1959,vol.24,p.787,792]

[1]Kaswan,Pinku;Pericherla,Kasiviswanadharaju;Purohit,Deepshikha;Kumar,Anil[TetrahedronLetters,2015,vol.56,#3,p.549-553]

[2]Elnagdi;Erian[BulletinoftheChemicalSocietyofJapan,1990,vol.63,#6,p.1854-1856]

Literature

Title: Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

Journal: Journal of medicinal chemistry 20110113

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: A simple hydrogen-bonded chain in (3Z)-3-{1-[(5-phenyl-1H-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3H)-one, and a hydrogen-bonded ribbon of centrosymmetric rings in the self-assembled adduct (3Z)-3-{1-[(5-methyl-1H-pyrazol-3-yl)amino]ethylidene}-4,5-dihydrofuran-2(3H)-one-6-(2-hydroxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one (1/1).

Journal: Acta crystallographica. Section C, Crystal structure communications 20100101

Title: Botulinum neurotoxin serotype A inhibitors: small-molecule mercaptoacetamide analogs.

Journal: Bioorganic & medicinal chemistry 20090415

Title: Tuning of chemo- and regioselectivities in multicomponent condensations of 5-aminopyrazoles, dimedone, and aldehydes.

Journal: The Journal of organic chemistry 20080704

Title: Synthesis and biological evaluation of new 3-substituted indole derivatives as potential anti-inflammatory and analgesic agents.

Journal: Bioorganic & medicinal chemistry 20070601

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