5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile

CAS N/A MFCD01935950

化学结构图

N/A
SMILES: CN1N=C(C(C#N)=C1Cl)C1C=CC=CC=1

化学属性

Mol. FormulaC11H8ClN3
Mol. Weight217.65
Melting Point101-105°

别名和识别编码

Chemical Name5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile
Alfabeta NameCHLOROMETHYLPHENYLPYRAZOLECARBONITRILE H51314---------
MDL NumberMFCD01935950
Synonym
PubChem Substance ID329790590

分类

  • Building Blocks, C11, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Pyrazoles
  • {KO} Nitriles
  • {SNA} Building Blocks, C10-C30+, C11, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
  • {KO} ReacChlorides

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P301+P310
Signal word Danger
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H301 Toxic if swallowed 吞食有毒

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
2
Rotatable Bonds
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrazoles 吡唑
  5. C11 - Pyrazoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Pyrazoles 吡唑

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