Cas no 13004-59-6 (1H-Pyrazole-3,4-dicarboxamide,N3,N4-dimethyl-1-(2-propen-1-yl)-)
13004-59-6 structure
Product Name:1H-Pyrazole-3,4-dicarboxamide,N3,N4-dimethyl-1-(2-propen-1-yl)-
CAS No:13004-59-6
MF:C10H14N4O2
MW:222.243761539459
CID:171798
PubChem ID:202601
Update Time:2025-04-19
1H-Pyrazole-3,4-dicarboxamide,N3,N4-dimethyl-1-(2-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3,4-dicarboxamide,N3,N4-dimethyl-1-(2-propen-1-yl)-
- 3-N,4-N-dimethyl-1-prop-2-enylpyrazole-3,4-dicarboxamide
- BRN 0791129
- 1-Allyl-N,N'-dimethylpyrazole-3,4-dicarboxamide
- 5-25-05-00335 (Beilstein Handbook Reference)
- DTXSID10156320
- 13004-59-6
- Pyrazole-3,4-dicarboxamide, 1-allyl-N,N'-dimethyl-
- IEM 439
-
- Inchi： 1S/C10H14N4O2/c1-4-5-14-6-7(9(15)11-2)8(13-14)10(16)12-3/h4,6H,1,5H2,2-3H3,(H,11,15)(H,12,16)
- InChI Key： KIIMBJWHQVXIBB-UHFFFAOYSA-N
- SMILES： O=C(C1=CN(CC=C)N=C1C(NC)=O)NC
Computed Properties
- Exact Mass: 222.11182
- Monoisotopic Mass: 222.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 293
- 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: -0.1
- Topological Polar Surface Area: 76?2
Experimental Properties
- Density: 1.22
- Boiling Point: 502.5°Cat760mmHg
- Flash Point: 257.7°C
- Refractive Index: 1.577
- PSA: 76.02
1H-Pyrazole-3,4-dicarboxamide,N3,N4-dimethyl-1-(2-propen-1-yl)- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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