5-Amino-1-(4-Nitrophenyl)-1H-Pyrazole-4-Carbonitrile 5-氨基-1-(4-硝基苯基)-1H-吡唑-4-甲腈

CAS 5394-41-2 MFCD00052885

化学结构图

5394-41-2
SMILES: N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1N

化学属性

Mol. FormulaC10H7N5O2
Mol. Weight229.19488
Melting Point191-193 °C
Boiling Point492.3±40.0 °C at 760 mmHg

别名和识别编码

Chemical Name5-Amino-1-(4-Nitrophenyl)-1H-Pyrazole-4-Carbonitrile
CAS Number5394-41-2
Alfabeta NameAMINONITROPHENYLPYRAZOLECARBONITRILE H51414()--------
MDL NumberMFCD00052885
Synonym 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation5-氨基-1-(4-硝基苯基)-1H-吡唑-4-甲腈
LabNetwork Molecule IDLN00148206
PubChem Substance ID219732
InChIInChI=1S/C10H7N5O2/c11-5-7-6-13-14(10(7)12)8-1-3-9(4-2-8)15(16)17/h1-4,6H,12H2
Canonical SMILESN#CC1=C(N)N(C2=CC=C([N+]([O-])=O)C=C2)N=C1
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分类

  • {KO} Nitriles
  • {KO} Nitros
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
Hazard Codes Xi
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
4
Rotatable Bonds
1
LogP
1

其他信息

  • MOL 文件:5394-41-2.mol
  • Hazard Note:Irritant

系列性分类


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