1-(3-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS N/A MFCD06200971
化学结构图
SMILES: CC1=C(C(O)=O)C(C)=NN1C1=CC(Br)=CC=C1
化学属性
| Mol. Formula | C12H11BrN2O2 |
|---|---|
| Mol. Weight | 295.13 |
| Melting Point | 219-219° |
别名和识别编码
| Chemical Name | 1-(3-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
|---|---|
| Alfabeta Name | BROMOPHENYLDIMETHYLPYRAZOLECARBOXYLICACID H133514()--------, |
| MDL Number | MFCD06200971 |
| Synonym | 1-(3-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
分类
- {KO} CarboxylicAcids
- {SNA} Building Blocks, C10-C30+, C12 to C37, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyrazoles
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
1
LogP
3
