2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid 2-[3-甲基-5-(三氟甲基)-1H-吡唑-1-基]-1,3-噻唑-4-羧酸
CAS 449778-74-9 MFCD03012088
化学结构图
SMILES: CC1C=C(N(N=1)C1=NC(=CS1)C(O)=O)C(F)(F)F
化学属性
| Mol. Formula | C9 |
|---|---|
| Mol. Weight | 277 |
| Melting Point | 170-172° |
别名和识别编码
| Chemical Name | 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol -1-yl]-1,3-thiazole-4-carboxylic acid |
|---|---|
| Alfabeta Name | METHYLTRIFLUOROMETHYLPYRAZOLYLTHIAZOLECARBOXYLICACID H23511134[]()------------, |
| MDL Number | MFCD03012088 |
| CAS Number | 449778-74-9 |
| Synonym | 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid |
| Chemical Name Translation | 2-[3-甲基-5-(三氟甲基)-1H-吡唑-1-基]-1,3-噻唑-4-羧酸 |
| PubChem Substance ID | 329791053 |
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分类
- {SNA} Building Blocks, C8 to C9, C9, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles, Thiazoles
- {KO} CarboxylicAcids
安全信息
GHS Symbol
- P305+P351+P338
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- R36 Irritating to eyes 刺激眼睛
- R22 Harmful if swallowed 吞咽有害
- H302 Harmful if swallowed 吞食有害
- H319 Causes serious eye irritation 严重刺激眼睛
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
1
LogP
2
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