5-(3-Chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid

CAS N/A MFCD01935959

化学结构图

N/A
SMILES: CC1=NN(C)C(OC2=CC(Cl)=CC=C2)=C1C(O)=O

化学属性

Mol. FormulaC12H11ClN2O3
Mol. Weight266.68
Melting Point189-191°

别名和识别编码

Chemical Name5-(3-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid
Alfabeta NameCHLOROPHENOXYDIMETHYLPYRAZOLECARBOXYLICACID H531314()--------,
MDL NumberMFCD01935959
Synonym 5-(3-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid
PubChem Substance ID329789530

分类

  • {SNA} Building Blocks, C10-C30+, C12 to C37, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
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. C12 to C37 - 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. Heterocyclic Acids 杂环酸
  5. Pyrazole Acids

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