1,4,5,6-Tetrahydrocyclopenta[C]Pyrazole-3-Carboxylic Acid 1,4,5,6-四氢环戊并吡唑-3-甲酸

CAS 5932-32-1 MFCD01248822

化学结构图

5932-32-1
SMILES: OC(=O)C1=NNC2CCCC=21

化学属性

Mol. FormulaC7H8N2O2
Mol. Weight152.15
Boiling Point430.7 °C at 760 mmHg
Melting Point245-248 °C
Density

别名和识别编码

Chemical Name1,4,5,6-Tetrahydrocyclopenta[C]Pyrazole-3-Carboxylic Acid
CAS Number5932-32-1
Alfabeta NameTETRAHYDROCYCLOPENTAPYRAZOLECARBOXYLICACID C14563[]---,,,
MDL NumberMFCD01248822
Synonym 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic
Chemical Name Translation1,4,5,6-四氢环戊并吡唑-3-甲酸
EC Number
Beilstein Registry Number
LabNetwork Molecule IDLN00003388
Canonical SMILESOC(C1=NNC2=C1CCC2)=O
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分类

  • {KO} AminesSecondaryHeteroNH
  • Amines, Building Blocks, C7, C7 to C8, Chemical Synthesis, Heterocyclic Building Blocks, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Pyrazoles
  • {KO} CarboxylicAcids
  • {SNA} Amines, Building Blocks, C7, C7 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Nitrogen Compounds, Organic Building Blocks, Pyrazoles

相关文献及参考

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
UN Number
Hazard Codes
Signal word
Safety Statements
Risk Statements
Precautionary statements
RTECS
Packing Group
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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
2
H-bond Acceptors
3
Rotatable Bonds
1
LogP
9.178000000000001e-001

系列性分类

  1. C7 - Amines
  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
  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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