1-Methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethy l)phenyl]sulfanyl}-1H-pyrazole-4-carbaldehyde
CAS 400751-40-8 MFCD01936008
化学结构图
SMILES: CN1N=C(C(C=O)=C1SC1C=C(C=CC=1)C(F)(F)F)C(F)(F)F
化学属性
| Mol. Formula | C13H8F6N2OS |
|---|---|
| Mol. Weight | 354.28 |
| Melting Point | 70-72° |
别名和识别编码
| Chemical Name | 1-Methyl-3-(trifluoromethyl)-5-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazole-4-carbaldehyde |
|---|---|
| Alfabeta Name | METHYLTRIFLUOROMETHYLTRIFLUOROMETHYLPHENYLSULFANYLPYRAZOLECARBALDEHYDE H135314[](())----------{} |
| MDL Number | MFCD01936008 |
| CAS Number | 400751-40-8 |
| Chemical Name Translation |
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分类
- {KO} Aldehydes
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
2
Rotatable Bonds
3
H-bond Donors
0
LogP
4
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