Cas no 50476-16-9 (1H-Pyrazole, 1,1'-carbonylbis[3-methyl-)
50476-16-9 structure
Product Name:1H-Pyrazole, 1,1'-carbonylbis[3-methyl-
CAS No:50476-16-9
MF:C9H10N4O
MW:190.201900959015
CID:364826
PubChem ID:19047426
Update Time:2025-04-19
1H-Pyrazole, 1,1'-carbonylbis[3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- bis(3-methylpyrazol-1-yl)methanone
- 50476-16-9
- DTXSID60597704
- Bis(3-methyl-1H-pyrazol-1-yl)methanone
- 1H-Pyrazole, 1,1'-carbonylbis[3-methyl-
-
- Inchi： 1S/C9H10N4O/c1-7-3-5-12(10-7)9(14)13-6-4-8(2)11-13/h3-6H,1-2H3
- InChI Key： YUSRXFUVNOWNKJ-UHFFFAOYSA-N
- SMILES： O=C(N1C=CC(C)=N1)N1C=CC(C)=N1
Computed Properties
- Exact Mass: 190.0856
- Monoisotopic Mass: 190.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 211
- 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: 1.3
- Topological Polar Surface Area: 52.7?2
Experimental Properties
- PSA: 52.71
1H-Pyrazole, 1,1'-carbonylbis[3-methyl- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
50476-16-9 (1H-Pyrazole, 1,1'-carbonylbis[3-methyl-) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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