5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile 5-氨基-1-(4-甲氧基苯基)-1H-吡唑-4-腈

CAS 116884-64-1 MFCD00128343

化学结构图

116884-64-1
SMILES: COC1C=CC(=CC=1)N1N=CC(C#N)=C1N

化学属性

Mol. FormulaC11H10N4O
Mol. Weight214.22
Melting Point125-128°

别名和识别编码

Chemical Name5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile
Alfabeta NameAMINOMETHOXYPHENYLPYRAZOLECARBONITRILE H51414()--------
MDL NumberMFCD00128343
CAS Number116884-64-1
Synonym 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile
Chemical Name Translation5-氨基-1-(4-甲氧基苯基)-1H-吡唑-4-腈
PubChem Substance ID329791041
LabNetwork Molecule IDLN00148969
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分类

  • {KO} Nitriles
  • {KO} AminesPrimary
  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
Signal word Danger
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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

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
1

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

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