Cas no 1196-15-2 (1H-Pyrazole-5-carbonitrile,1-acetyl-4-methyl-)
1196-15-2 structure
Product Name:1H-Pyrazole-5-carbonitrile,1-acetyl-4-methyl-
CAS No:1196-15-2
MF:C7H7N3O
MW:149.149980783463
CID:117484
PubChem ID:45085842
Update Time:2025-04-18
1H-Pyrazole-5-carbonitrile,1-acetyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carbonitrile,1-acetyl-4-methyl-
- Pyrazole-5-carbonitrile, 1-acetyl-4-methyl- (7CI,8CI)
- 1196-15-2
- 1-Acetyl-4-methyl-1H-pyrazole-5-carbonitrile
-
- Inchi： 1S/C7H7N3O/c1-5-4-9-10(6(2)11)7(5)3-8/h4H,1-2H3
- InChI Key： RPJYBZKOMAIJKP-UHFFFAOYSA-N
- SMILES： O=C(C)N1C(C#N)=C(C)C=N1
Computed Properties
- Exact Mass: 149.05901
- Monoisotopic Mass: 149.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 217
- 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
- Topological Polar Surface Area: 58.7A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 58.68
1H-Pyrazole-5-carbonitrile,1-acetyl-4-methyl- Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
1196-15-2 (1H-Pyrazole-5-carbonitrile,1-acetyl-4-methyl-) Related Products
- 2644-93-1(1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde)
- 198348-94-6(1-Acetyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazole)
- 33090-55-0(Ethyl 5-cyano-1-methyl-1H-pyrazole-4-carboxylate)
- 647824-51-9(1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde)
- 120800-48-8(1H-Pyrazole-3-carboxylicacid, 1-acetyl-5-methyl-)
- 36140-83-7(3-(3,5-dimethylpyrazol-1-yl)-3-oxo-propanenitrile)
- 18712-39-5((1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol)
- 17629-26-4(1-Ethyl-4-iodo-3,5-dimethyl-1H-pyrazole)
- 98477-12-4(Ethyl 1-(tert-butyl)-5-cyano-1H-pyrazole-4-carboxylate)
- 126571-48-0(1-{4H,5H,6H,7H-pyrazolo1,5-apyridin-3-yl}ethan-1-one)
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