5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid

CAS 191419-14-4 MFCD01314939

化学结构图

191419-14-4
SMILES: CN1N=C(C(C(O)=O)=C1Cl)C1C=CC=CC=1

化学属性

Mol. FormulaC11H9ClN2O2
Mol. Weight236.65
Melting Point176-177°

别名和识别编码

Chemical Name5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid
Alfabeta NameCHLOROMETHYLPHENYLPYRAZOLECARBOXYLICACID H51314---------
MDL NumberMFCD01314939
CAS Number191419-14-4
Synonym 5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid
Chemical Name Translation
PubChem Substance ID329789670
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分类

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

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Hazard Codes Xi
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛

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 Acceptors
3
Rotatable Bonds
2
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. 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. Heterocyclic Acids 杂环酸
  5. Pyrazole Acids

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