3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid 3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid

CAS 175277-11-9 MFCD00173812

化学结构图

175277-11-9
SMILES: CN1N=C(C=C1C(O)=O)C(C)(C)C

化学属性

Mol. FormulaC9
Mol. Weight182
Melting Point156 - 158 (°C)

别名和识别编码

Chemical Name3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid
CAS Number175277-11-9
Alfabeta NameBUTYLMETHYLPYRAZOLECARBOXYLICACID TERTH3115()--------
MDL NumberMFCD00173812
Synonym 3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Chemical Name Translation3-(Tert-Butyl)-1-Methyl-1H-Pyrazole-5-Carboxylic Acid
PubChem Substance ID329788840
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分类

  • {SNA} Building Blocks, C9, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Signal word Warning
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 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. C9 - 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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