Ethyl 3,5-Dimethyl-1H-Pyrazole-4-Carboxylate 3,5-二甲基-1H-4-吡唑羧酸乙酯
CAS 35691-93-1 MFCD00159638
化学结构图
SMILES: CC1NN=C(C)C=1C(=O)OCC
化学属性
| Mol. Formula | C8H12N2O2 |
|---|---|
| Mol. Weight | 168.19 |
| Melting Point | 92-94° |
别名和识别编码
| Chemical Name | Ethyl 3,5-Dimethyl-1H-Pyrazole-4-Carboxylate |
|---|---|
| CAS Number | 35691-93-1 |
| Alfabeta Name | ETHYLDIMETHYLPYRAZOLECARBOXYLATE H3514-----, |
| MDL Number | MFCD00159638 |
| Synonym | 3,5-Dimethylpyrazole-4-carboxylic acid ethyl ester 3.5. Dimethylpyrazol 4-carbonsaeureaethyl ester Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate |
| Chemical Name Translation | 3,5-二甲基-1H-4-吡唑羧酸乙酯 |
| Beilstein Registry Number | 0123695 |
| PubChem Substance ID | 329788416 |
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分类
- {KO} AminesSecondaryHeteroNH
- {KO} Esters
- {SNA} Building Blocks, C7 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrazoles
安全信息
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
3
LogP
1
