Cas no 147011-85-6 (N~3~,N~5~-Dibutyl-1H-pyrazole-3,5-dicarboxamide)
147011-85-6 structure
Product Name:N~3~,N~5~-Dibutyl-1H-pyrazole-3,5-dicarboxamide
CAS No:147011-85-6
MF:C13H22N4O2
MW:266.339382648468
CID:2778241
Update Time:2023-08-07
N~3~,N~5~-Dibutyl-1H-pyrazole-3,5-dicarboxamide Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3,5-dicarboxamide, N,N'-dibutyl-
- N~3~,N~5~-Dibutyl-1H-pyrazole-3,5-dicarboxamide
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- Inchi： 1S/C13H22N4O2/c1-3-5-7-14-12(18)10-9-11(17-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
- InChI Key： IJSWPBVTZBWCES-UHFFFAOYSA-N
- SMILES： O=C(C1=CC(C(NCCCC)=O)=NN1)NCCCC
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 296
- XLogP3: 1.9
- Topological Polar Surface Area: 86.9
N~3~,N~5~-Dibutyl-1H-pyrazole-3,5-dicarboxamide Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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