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

CAS 288251-63-8 MFCD02083021

化学结构图

288251-63-8
SMILES: CC1=C(C(O)=O)C(C)=NN1C1C=CC(F)=CC=1

化学属性

Mol. FormulaC12H11FN2O2
Mol. Weight234.23
Melting Point215-217°

别名和识别编码

Chemical Name1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number288251-63-8
Alfabeta NameFLUOROPHENYLDIMETHYLPYRAZOLECARBOXYLICACID H143514()--------,
MDL NumberMFCD02083021
Synonym 1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Chemical Name Translation
PubChem Substance ID329792691
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分类

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

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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

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
3

系列性分类

  1. Building Blocks - New Products for Chemical Synthesis
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  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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