Cas no 108194-78-1 (1H-Pyrazole-4-carboxylicacid, 3-amino-1-(2,3-dihydroxypropyl)-)
108194-78-1 structure
Product Name:1H-Pyrazole-4-carboxylicacid, 3-amino-1-(2,3-dihydroxypropyl)-
CAS No:108194-78-1
MF:C7H11N3O4
MW:201.179941415787
CID:127849
PubChem ID:45089596
Update Time:2025-04-18
1H-Pyrazole-4-carboxylicacid, 3-amino-1-(2,3-dihydroxypropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 3-amino-1-(2,3-dihydroxypropyl)-
- 1H-Pyrazole-4-carboxylicacid, 3-amino-1-(2,3-dihydroxypropyl)-, (?à)-
- 1H-Pyrazole-4-carboxylicacid,3-amino-1-(2,3-dihydroxypropyl)-(9CI)
- 3-amino-1-(2,3-dihydroxypropyl)pyrazole-4-carboxylic acid
- DTXSID20666501
- 3-Amino-1-(2,3-dihydroxypropyl)-1H-pyrazole-4-carboxylic acid
- 108194-78-1
-
- Inchi： 1S/C7H11N3O4/c8-6-5(7(13)14)2-10(9-6)1-4(12)3-11/h2,4,11-12H,1,3H2,(H2,8,9)(H,13,14)
- InChI Key： XQIHLOYBGIPZER-UHFFFAOYSA-N
- SMILES： OC(CO)CN1C=C(C(=O)O)C(N)=N1
Computed Properties
- Exact Mass: 201.07503
- Monoisotopic Mass: 201.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 122A^2
- XLogP3: -1.4
Experimental Properties
- PSA: 121.6
- LogP: -1.55320
1H-Pyrazole-4-carboxylicacid, 3-amino-1-(2,3-dihydroxypropyl)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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