Name: Name:5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester
Brand: AABLOCKS
SKU: AA00I7BX
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00I7BX

Chemical Name: 5-Acetyl-2H-pyrazole-3-carboxylic acid ethyl ester

CAS Number: 37622-89-2

Molecular Formula: C8H10N2O3

Molecular Weight: 182.1766

MDL Number: MFCD21362351

SMILES: CCOC(=O)c1[nH]nc(c1)C(=O)C

Properties

Complexity: 217

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.8

Downstream Synthesis Route

623-73-4

7119-27-9

37622-89-2

[1]Nesmejanow;Kotschetkow[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1951,p.686,690][Chem.Abstr.,1952,p.7565]

37622-89-2

949034-45-1

[1]CurrentPatentAssignee:SHENZHENTARGETRXINC-EP3932908,2022,A1Locationinpatent:Paragraph0243-0244;0246

[2]CurrentPatentAssignee:SHENZHENTARGETRXINC-EP3932908,2022,A1Locationinpatent:Paragraph0243-0244;0246

[3]CurrentPatentAssignee:NERVIANOMEDICALSCIENCESS.R.L.-WO2012/139930,2012,A1Locationinpatent:Page/Pagecolumn36-37

[4]CurrentPatentAssignee:NERVIANOMEDICALSCIENCESS.R.L.-US2014/51708,2014,A1Locationinpatent:Paragraph0335-0339

[5]CurrentPatentAssignee:AURISCOPHARMACEUTICALTIANJIN;AURISCOPHARMACEUTICAL-CN111138289,2020,ALocationinpatent:Paragraph0016;0048

[6]Nesmejanow;Kotschetkow[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1951,p.686,690][Chem.Abstr.,1952,p.7565]

[7]Bao,Qiqi;Han,Xiaoli;Huang,Chenchao;Li,Xiaoyu;Wu,Meng;Xiao,Xiaohui;Xu,Qian;Zhang,Rongyu;Zhang,Zixiong;Zhou,Jinming[BioorganicChemistry,2022,vol.124]

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623-73-4

1423-60-5

37622-89-2

[1]CurrentPatentAssignee:NANJINGUNIVERSITY-CN110452123,2019,ALocationinpatent:Paragraph0036-0038;0054-0065

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[6]CurrentPatentAssignee:NERVIANOMEDICALSCIENCESS.R.L.-WO2012/139930,2012,A1Locationinpatent:Page/Pagecolumn36

[7]CurrentPatentAssignee:NERVIANOMEDICALSCIENCESS.R.L.-US2014/51708,2014,A1Locationinpatent:Paragraph0328-0332

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[11]Bao,Qiqi;Han,Xiaoli;Huang,Chenchao;Li,Xiaoyu;Wu,Meng;Xiao,Xiaohui;Xu,Qian;Zhang,Rongyu;Zhang,Zixiong;Zhou,Jinming[BioorganicChemistry,2022,vol.124]

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37622-89-2

3112-31-0

[1]Nesmejanow;Kotschetkow[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1951,p.686,690][Chem.Abstr.,1952,p.7565]

21983-72-2

95-92-1

37622-89-2

[1]Patent:WO2004/32928,2004,A1.Locationinpatent:Page/Pagecolumn64-65