Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate 乙基

CAS 2997-63-9 MFCD00687177

化学结构图

2997-63-9
SMILES: CCOC(=O)C1=NNC2C(=O)N(c3ccccc3)C(=O)C12

化学属性

Mol. FormulaC14H13N3O4
Mol. Weight287.27
Melting Point205-207 °C
Boiling Point533.213±60.00 °C at 760mmHg

别名和识别编码

Chemical NameEthyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
CAS Number2997-63-9
Alfabeta NameETHYLDIOXOPHENYLHEXAHYDROPYRROLOPYRAZOLECARBOXYLATE AAC465134566343[]--------,,,,,,,
MDL NumberMFCD00687177
Chemical Name Translation乙基
LabNetwork Molecule IDLN00146726
PubChem Substance ID2763421
InChIInChI=1S/C14H13N3O4/c1-2-21-14(20)11-9-10(15-16-11)13(19)17(12(9)18)8-6-4-3-5-7-8/h3-7,9-10,15H,2H2,1H3
Synonym Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {} {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {} {} {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate {} {} {} {} {} {} {} {} {LY} Ethyl 4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyra
Canonical SMILESCCOC(=O)C1=NNC2C1C(=O)N(C3=CC=CC=C3)C2=O
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分类

  • {KO} Hydrazines
  • {KO} Esters
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

H-bond Donors
1
H-bond Acceptors
5
Rotatable Bonds
4

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

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