Cas no 1224888-18-9 (5-amino-1-ethyl-1H-Pyrazole-3-carboxylic acid)
1224888-18-9 structure
Product Name:5-amino-1-ethyl-1H-Pyrazole-3-carboxylic acid
CAS No:1224888-18-9
MF:C6H9N3O2
MW:155.154560804367
CID:2114814
Update Time:2023-11-19
5-amino-1-ethyl-1H-Pyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-1-ethyl-1H-Pyrazole-3-carboxylic acid
- 1H-Pyrazole-3-carboxylicacid,5-amino-1-ethyl-
- 1H-Pyrazole-3-carboxylic acid, 5-amino-1-ethyl-
- CID 82416412
-
- Inchi： 1S/C6H9N3O2/c1-2-9-5(7)3-4(8-9)6(10)11/h3H,2,7H2,1H3,(H,10,11)
- InChI Key： PVERCSMEKLPBPH-UHFFFAOYSA-N
- SMILES： OC(C1C=C(N)N(CC)N=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 162
- Topological Polar Surface Area: 81.1
Experimental Properties
- Density: 1.45±0.1 g/cm3(Predicted)
- Boiling Point: 407.4±30.0 °C(Predicted)
- pka: 1.77±0.10(Predicted)
5-amino-1-ethyl-1H-Pyrazole-3-carboxylic acid Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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