Ethyl 3,5-Dimethyl-1H-Pyrazole-4-Carboxylate 3,5-二甲基-1H-4-吡唑羧酸乙酯

CAS 35691-93-1 MFCD00159638

化学结构图

35691-93-1
SMILES: CC1NN=C(C)C=1C(=O)OCC

化学属性

Mol. FormulaC8H12N2O2
Mol. Weight168.19
Melting Point92-94°

别名和识别编码

Chemical NameEthyl 3,5-Dimethyl-1H-Pyrazole-4-Carboxylate
CAS Number35691-93-1
Alfabeta NameETHYLDIMETHYLPYRAZOLECARBOXYLATE H3514-----,
MDL NumberMFCD00159638
Synonym 3,5-Dimethylpyrazole-4-carboxylic acid ethyl ester 3.5. Dimethylpyrazol 4-carbonsaeureaethyl ester Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
Chemical Name Translation3,5-二甲基-1H-4-吡唑羧酸乙酯
Beilstein Registry Number0123695
PubChem Substance ID329788416
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Esters
  • {SNA} Building Blocks, C7 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles

安全信息

Warnings IRRITANT
RTECSUQ6394800 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten,
   Dissertation," Leube, F., Pharmakologischen Institut der Universitat
   Tubingen, Fed. Rep. Ger., 1931  Volume(issue)/page/year: -,-,1931

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
3
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. C7 to C8 - Pyrazoles

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