33064-34-5 (1H-Pyrazole-3-carbonitrile,1h-pyrazole-3-carbonitrile)

快速询单

结构式：

1H-Pyrazole-3-carbonitrileMOL文件

CAS号：

33064-34-5

中文名称：

1H-Pyrazole-3-carbonitrile

英文名称：

1h-pyrazole-3-carbonitrile

分子式：

C₈H₆N₆

分子量：

186.173439502716

1H-Pyrazole-3-carbonitrile(33064-34-5)名称与标识符

名称

中文别名：

1H-Pyrazole-3-carbonitrile;

英文别名：

1h-pyrazole-3-carbonitrile;1(2)H-pyrazole-3,4-dicarboxylic acid diethyl ester;SureCN3376695;2H-Pyrazole-3,4-dicarboxylic acid diethyl ester;1H-Pyrazole-3,4-dicarboxylic acid, diethyl ester;1H-Pyrazol-5-carbonitril;1(2)H-pyrazole-3-carbonitrile;SureCN1458672;cyano-5 pyrazole;AGN-PC-001K68;4,5-Bis-(ethoxycarbonyl)-pyrazol;CTK1A9415;diethyl 2H-pyrazole-3,4-dicarboxylate;1(2)H-pyrazole-3,4-dicarboxylic acid diethyl ester; SureCN3376695; 2H-Pyrazole-3,4-dicarboxylic acid diethyl ester; 1H-Pyrazole-3,4-dicarboxylic acid, diethyl ester; 1H-Pyrazol-5-carbonitril; 1(2)H-pyrazole-3-carbonitrile; SureCN1458672; cyano-5 pyrazole; AGN-PC-001K68; 2H-pyrazole-3,4-dicarboxylic acid diethyl ester; 4,5-Bis-(ethoxycarbonyl)-pyrazol; CTK1A9415; diethyl 2H-pyrazole-3,4-dicarboxylate;;3-Cyanopyrazole;pyrazole-3-carbonitrile;BCP26277;36650-74-5;Z1082448654;EN300-105533;AKOS005169527;DTXSID40957908;1h-pyrazole-5-carbonitrile;CS-W019604;AM20090586;A6324;BL003372;J-504724;cyanopyrazole;ALBB-029030;3-cyano-1H-pyrazole;AKOS012378885;2H-PYRAZOLE-3-CARBONITRILE;STL414994;33064-34-5;YMJLEPMVGQBLHL-UHFFFAOYSA-N;1447663-27-5;5-cyanopyrazole;DB-069420;AC-23225;AS-58703;1H-PYRAZOL-3-YL CYANIDE;SY031847;MFCD08669496;

标识符

InChIKey：

VZXFEVSELZGXNX-UHFFFAOYSA-N

Inchi：

1S/2C4H3N3/c2*5-3-4-1-2-6-7-4/h2*1-2H,(H,6,7)

SMILES：

N#CC1=NNC=C1.N#CC1NN=CC=1

1H-Pyrazole-3-carbonitrile(33064-34-5)物化性质

计算特性

精确分子量 : 93.032697108g/mol
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 93.032697108g/mol
重原子数量 : 7
复杂度 : 101
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.3
拓扑分子极性表面积 : 52.5Å²

1H-Pyrazole-3-carbonitrile(33064-34-5)相关文献

1. Synthesis of 1,3,5-trisubstituted pyrazoles via 1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita–Baylis–Hillman carbonates
Kai-Kai Wang,Yan-Li Li,Jun Jing,Rongxiang Chen,Na-Na Zhao,Zhi-Hui Li,Ming-Yue Wang,Shuo-Ke Ji Org. Biomol. Chem. 2022 20 6923
2. 1,2,3-Thiadiazol-3-ium-3-methanide (ylide) 1,3-dipoles: cycloaddition–rearrangement sequences leading to substituted 1-(2-vinylthioethenyl)pyrazole systems: azolium 1,3-dipoles
Richard N. Butler,Martin O. Cloonan,P. McArdle,D. Cunningham J. Chem. Soc. Perkin Trans. 1 1999 1415
3. The chemistry of cyanoacetylenes. Part IX. Preparation of pyrazole derivatives via 1,3-dipolar cycloaddition reactions of cyanoacetylenes with diazomethane, N-phenylsydnone, and diphenylnitrilimine
Tadashi Sasaki,Ken Kanematsu J. Chem. Soc. C 1971 2147
4. Recent advances in pyrazole synthesis employing diazo compounds and synthetic analogues
Sanoop P. Chandrasekharan,Anamika Dhami,Sandeep Kumar,Kishor Mohanan Org. Biomol. Chem. 2022 20 8787
5. An environmentally friendlier approach—ionic liquid catalysed, water promoted and grinding induced synthesis of highly functionalised pyrazole derivatives
Madhulika Srivastava,Pratibha Rai,Jaya Singh,Jagdamba Singh RSC Adv. 2013 3 16994
6. Efficient iodine-catalyzed one pot synthesis of highly functionalised pyrazoles in water
Madhulika Srivastava,Pratibha Rai,Jaya Singh,Jagdamba Singh New J. Chem. 2014 38 302
7. Bioisosteric replacement of the pyrazole 3-carboxamide moiety of rimonabant. A novel series of oxadiazoles as CB1 cannabinoid receptor antagonists
Cheng-Ming Chu,Ming-Shiu Hung,Min-Tsang Hsieh,Chun-Wei Kuo,Suja T. D.,Jen-Shin Song,Hua-Hao Chiu,Yu-Sheng Chao,Kak-Shan Shia Org. Biomol. Chem. 2008 6 3399
8. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers
Ping Yin,Jiaheng Zhang,Chunlin He,Damon A. Parrish,Jean'ne M. Shreeve J. Mater. Chem. A 2014 2 3200
9. Unorthodox synthesis, biological activity and DFT studies of novel and multifunctionalized naphthoxocine derivatives
Mohamed Ahmed Abozeid,Aya Atef El-Sawi,Mohamed Ramadan Elmorsy,Mohamed Abdelmoteleb,Abdel-Rahman Hassan Abdel-Rahman,El-Sayed Ibrahim El-Desoky RSC Adv. 2019 9 27996
10. Chromogenic and fluorescent chemodosimeter for fluoride ion based on novel anion-catalyzed intramolecular hydrogen transfer
Chuanxiang Liu,Xuhong Qian,Guangqiang Sun,Liwei Zhao,Zhong Li New J. Chem. 2008 32 472

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33064-34-5 (1H-Pyrazole-3-carbonitrile,1h-pyrazole-3-carbonitrile)

1H-Pyrazole-3-carbonitrile(33064-34-5)名称与标识符

名称

标识符

1H-Pyrazole-3-carbonitrile(33064-34-5)物化性质

计算特性

1H-Pyrazole-3-carbonitrile(33064-34-5)相关文献

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