Methyl 5-methyl-1H-pyrazole-3-carboxylate 5-甲基吡唑-3-甲酸甲酯

CAS 25016-17-5 MFCD03778987

化学结构图

25016-17-5
SMILES: CC1=CC(=NN1)C(=O)OC

化学属性

Mol. FormulaC6H8N2O2
Mol. Weight140
Melting Point76-81 °C

别名和识别编码

Chemical NameMethyl 5-methyl-1H-pyrazole-3-carboxylate
CAS Number25016-17-5
Alfabeta NameMETHYLMETHYLPYRAZOLECARBOXYLATE H513-----
MDL NumberMFCD03778987
Synonym 5-Methyl-1H-pyrazole-3-carboxylic acid methyl ester 5-Methyl-1H-pyrazole-3-carboxylic acid methyl ester Methyl 5-methyl-1H-pyrazole-3-carboxylate Methyl 5-methyl-1H-pyrazole-3-carboxylate
PubChem Substance ID329764740
Chemical Name Translation5-甲基吡唑-3-甲酸甲酯
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
  • {KO} Esters
  • Building Blocks, C6, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

安全信息

Warnings IRRITANT
WGK Germany3

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 Donors
1
H-bond Acceptors
3
Rotatable Bonds
2
LogP
5.177000000000001e-001

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. C6 - 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. Pyrazoles 吡唑

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