18093-92-0 (3-methyl-1-phenylpyrazole-4-carbonitrile,1H-Pyrazole-4-carbonitrile, 3-methyl-1-phenyl-)

快速询单

结构式：

3-methyl-1-phenylpyrazole-4-carbonitrileMOL文件

CAS号：

18093-92-0

中文名称：

3-methyl-1-phenylpyrazole-4-carbonitrile

英文名称：

1H-Pyrazole-4-carbonitrile, 3-methyl-1-phenyl-

分子式：

C₁₁H₉N₃

分子量：

183.209261655807

3-methyl-1-phenylpyrazole-4-carbonitrile(18093-92-0)名称与标识符

名称

中文别名：

3-methyl-1-phenylpyrazole-4-carbonitrile;

英文别名：

DTXSID50396324;EN300-1460963;AKOS002803144;18093-92-0;3-methyl-1-phenyl-1h-pyrazole-4-carbonitrile;DTXCID40347183;1H-Pyrazole-4-carbonitrile, 3-methyl-1-phenyl-;

标识符

InChIKey：

AMRLEOIAAVRDSP-UHFFFAOYSA-N

Inchi：

1S/C11H9N3/c1-9-10(7-12)8-14(13-9)11-5-3-2-4-6-11/h2-6,8H,1H3

SMILES：

N1(C=C(C#N)C(C)=N1)C1C=CC=CC=1

3-methyl-1-phenylpyrazole-4-carbonitrile(18093-92-0)物化性质

计算特性

精确分子量 : 183.079647300Da
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 183.079647300Da
重原子数量 : 14
复杂度 : 236
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） : 2
拓扑分子极性表面积 : 41.6Å²

3-methyl-1-phenylpyrazole-4-carbonitrile(18093-92-0)相关文献

1. Unveiling a versatile heterocycle: pyrazoline – a review
Beena Varghese,Saleh N. Al-Busafi,FakhrEldin O. Suliman,Salma M. Z. Al-Kindy RSC Adv. 2017 7 46999
2. Probing the spectral response of a new class of bioactive pyrazoline derivative in homogeneous solvents and cyclodextrin nanocavities: a spectroscopic exploration appended by quantum chemical calculations and molecular docking analysis
Soumya Sundar Mati,Sunandan Sarkar,Soumyadipta Rakshit,Arindam Sarkar,Subhash Chandra Bhattacharya RSC Adv. 2013 3 8071
3. Micellar charge induced emissive response of a bio-active 3-pyrazolyl-2-pyrazoline derivative: a spectroscopic and quantum chemical analysis
Arindam Sarkar,Soumyadipta Rakshit,Sayantani Chall,Soumya Sundar Mati,Dipti Singharoy,Jorge Ba?uelos,I?igo López Arbeloa,Subhash Chandra Bhattacharya RSC Adv. 2014 4 56361
4. Chemistry and engineering of cyclodextrins for molecular imaging
Wing-Fu Lai,Andrey L. Rogach,Wing-Tak Wong Chem. Soc. Rev. 2017 46 6379
5. Photophysics of 7-(diethylamino)coumarin-3-carboxylic acid in cationic micelles: effect of chain length and head group of the surfactants and urea
Aninda Chatterjee,Banibrata Maity,Debabrata Seth RSC Adv. 2014 4 34026

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960化工网为您提供3-methyl-1-phenylpyrazole-4-carbonitrile专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.18093-92-0,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:18093-92-0 国际站:18093-92-0

18093-92-0 (3-methyl-1-phenylpyrazole-4-carbonitrile,1H-Pyrazole-4-carbonitrile, 3-methyl-1-phenyl-)

3-methyl-1-phenylpyrazole-4-carbonitrile(18093-92-0)名称与标识符

名称

标识符

3-methyl-1-phenylpyrazole-4-carbonitrile(18093-92-0)物化性质

计算特性

3-methyl-1-phenylpyrazole-4-carbonitrile(18093-92-0)相关文献

目录