1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
CAS 116834-08-3 MFCD01749393
化学结构图
SMILES: OC(=O)C1C=NN(C=1N1C=CC=C1)C1C=CC=CC=1
化学属性
| Mol. Formula | C14H11N3O2 |
|---|---|
| Mol. Weight | 253.26 |
| Melting Point | 185-189° |
别名和识别编码
| Chemical Name | 1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid |
|---|---|
| CAS Number | 116834-08-3 |
| Alfabeta Name | PHENYLPYRROLYLPYRAZOLECARBOXYLICACID HH151114()---------- |
| MDL Number | MFCD01749393 |
| 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 Number | 4259461 |
| Chemical Name Translation |
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资金保障
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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
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
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
