Cas no 931-08-8 (1H-pyrazole-1-carboxamide)
1H-pyrazole-1-carboxamide structure
Product Name:1H-pyrazole-1-carboxamide
1H-pyrazole-1-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 1H-pyrazole-1-carboxamide
- pyrazole-1-carboxamide
- DTXSID20284284
- GS 1192
- AKOS006372445
- InChI=1/C4H5N3O/c5-4(8)7-3-1-2-6-7/h1-3H,(H2,5,8
- 931-08-8
- CARZOLAMIDE
- SCHEMBL1275
- UNII-2PS88G4BF9
- 2PS88G4BF9
- Carboxamidopyrazole
- 1-Pyrazolecarboxamide
- NSC-36539
- N-carbamoylpyrazole
- NSC36539
- DVLHGMFTRAFHPR-UHFFFAOYSA-N
-
- Inchi： 1S/C4H5N3O/c5-4(8)7-3-1-2-6-7/h1-3H,(H2,5,8)
- InChI Key： DVLHGMFTRAFHPR-UHFFFAOYSA-N
- SMILES： O=C(N)N1C=CC=N1
Computed Properties
- Exact Mass: 111.043261792g/mol
- Monoisotopic Mass: 111.043261792g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 104
- 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: -0.5
- Topological Polar Surface Area: 60.9?2
1H-pyrazole-1-carboxamide Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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