Cas no 13004-58-5 (1H-Pyrazole-3,4-dicarboxamide,1-ethyl-N3,N4-dimethyl-)
13004-58-5 structure
Product Name:1H-Pyrazole-3,4-dicarboxamide,1-ethyl-N3,N4-dimethyl-
CAS No:13004-58-5
MF:C9H14N4O2
MW:210.233061313629
CID:161349
PubChem ID:166751
Update Time:2025-04-19
1H-Pyrazole-3,4-dicarboxamide,1-ethyl-N3,N4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3,4-dicarboxamide,1-ethyl-N3,N4-dimethyl-
- 1-ethyl-3-N,4-N-dimethylpyrazole-3,4-dicarboxamide
- etipirol
- 1-Ethyl-N,N'-dimethyl-1H-pyrazole-3,4-dicarboxamide
- 1-Ethyl-N,N'-dimethylpyrazole-3,4-dicarboxamide
- BRN 0883259
- Ethipyrol
- Ethirazol
- Ethirazole
- IEM 440
- Pyrazole-3,4-dicarboxamide, 1-ethyl-N,N'-dimethyl-
- 13004-58-5
- N,N'-dimethyl 1-ethylpyrazole-3,4-dicarboxamide
- Bis(methylamide)-1-ethylpyrazole-3,4-dicarboxylic acid
- Ethypyrol
- Etirazol
- DTXSID00156319
- Aethirazol
-
- Inchi： 1S/C9H14N4O2/c1-4-13-5-6(8(14)10-2)7(12-13)9(15)11-3/h5H,4H2,1-3H3,(H,10,14)(H,11,15)
- InChI Key： CLJBPOOJGPRGPF-UHFFFAOYSA-N
- SMILES： O=C(C1=CN(CC)N=C1C(NC)=O)NC
Computed Properties
- Exact Mass: 210.11182
- Monoisotopic Mass: 210.111676
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 257
- 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: 76
- XLogP3: -0.6
Experimental Properties
- Density: 1.26
- Boiling Point: 498.3°Cat760mmHg
- Flash Point: 255.2°C
- Refractive Index: 1.586
- PSA: 76.02
1H-Pyrazole-3,4-dicarboxamide,1-ethyl-N3,N4-dimethyl- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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