Cas no 88428-49-3 (1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2-hydroxyethyl)-, ethyl ester)
88428-49-3 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2-hydroxyethyl)-, ethyl ester
CAS No:88428-49-3
MF:C8H13N3O3
MW:199.207121610641
CID:633139
PubChem ID:68262399
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2-hydroxyethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2-hydroxyethyl)-, ethyl ester
- ethyl 3-amino-1-(2-hydroxyethyl)pyrazole-4-carboxylate
- 88428-49-3
- Ethyl 3-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
- DTXSID90738183
- SCHEMBL12429197
-
- Inchi： 1S/C8H13N3O3/c1-2-14-8(13)6-5-11(3-4-12)10-7(6)9/h5,12H,2-4H2,1H3,(H2,9,10)
- InChI Key： BVYGOKRZWNCZSB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(N)=NN(C=1)CCO)=O
Computed Properties
- Exact Mass: 199.09569129g/mol
- Monoisotopic Mass: 199.09569129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 90.4?2
1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2-hydroxyethyl)-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
88428-49-3 (1H-Pyrazole-4-carboxylic acid, 3-amino-1-(2-hydroxyethyl)-, ethyl ester) Related Products
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