1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid

CAS 116834-08-3 MFCD01749393

化学结构图

116834-08-3
SMILES: OC(=O)C1C=NN(C=1N1C=CC=C1)C1C=CC=CC=1

化学属性

Mol. FormulaC14H11N3O2
Mol. Weight253.26
Melting Point185-189°

别名和识别编码

Chemical Name1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
CAS Number116834-08-3
Alfabeta NamePHENYLPYRROLYLPYRAZOLECARBOXYLICACID HH151114()----------
MDL NumberMFCD01749393
Synonym 1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid 1-Phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
Beilstein Registry Number4259461
Chemical Name Translation
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Building Blocks, C12 to C37, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles, Pyrroles
  • {KO} CarboxylicAcids

相关文献及参考

安全信息

Warnings IRRITANT
RTECSUQ6437500 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 43,251,1988

WGK Germany3

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
1
LogP
3

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. Pyrroles 吡咯
  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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