5-Bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid

CAS 959576-61-5 MFCD03791224

化学结构图

959576-61-5
SMILES: OC(=O)C1C=NN(C=1Br)C1C=C(Cl)C=CC=1

化学属性

Mol. FormulaC10H6BrClN2O2
Mol. Weight302
Melting Point196-198°

别名和识别编码

Chemical Name5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid
Alfabeta NameBROMOCHLOROPHENYLPYRAZOLECARBOXYLICACID H51314()--------
MDL NumberMFCD03791224
CAS Number959576-61-5
Synonym 5-bromo-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid
Chemical Name Translation
PubChem Substance ID329790704
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分类

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

安全信息

Warnings IRRITANT
WGK Germany3

药物吸收、分布、代谢与排泄(ADME)

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. 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. C10 - 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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