Cas no 54385-57-8 (Propanamide,N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethyl-)
54385-57-8 structure
Product Name:Propanamide,N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethyl-
CAS No:54385-57-8
MF:C11H13N5O
MW:231.253821134567
CID:380313
PubChem ID:299646
Update Time:2025-04-19
Propanamide,N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanamide,N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethyl-
- N-(4,5-dicyano-1-methylpyrazol-3-yl)-2,2-dimethylpropanamide
- 4,5-Dicyano-1-methyl-3-trimethylacetamidopyrazol
- AC1L6UXY
- N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide
- N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethyl-propionamide
- NSC172926
- DTXSID50305956
- 54385-57-8
- NSC-172926
-
- Inchi： 1S/C11H13N5O/c1-11(2,3)10(17)14-9-7(5-12)8(6-13)16(4)15-9/h1-4H3,(H,14,15,17)
- InChI Key： DRPMSHYNJFAMIP-UHFFFAOYSA-N
- SMILES： O=C(C(C)(C)C)NC1C(C#N)=C(C#N)N(C)N=1
Computed Properties
- Exact Mass: 231.11219
- Monoisotopic Mass: 231.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 407
- 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: 1.5
- Topological Polar Surface Area: 94.5?2
Experimental Properties
- Density: 1.19
- Boiling Point: 498.4°C at 760 mmHg
- Flash Point: 255.2°C
- Refractive Index: 1.586
- PSA: 94.5
- LogP: 1.22106
Propanamide,N-(4,5-dicyano-1-methyl-1H-pyrazol-3-yl)-2,2-dimethyl- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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