Basic information
- CAS
641639-55-6- Standard SMILES
COC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
KSGGVVZMQIRRLK-UHFFFAOYSA-N- Molecular formula
- C19H15F3N2O2S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.08063339
Names & identifiers
- Preferred name
- Methyl 1-(4-(trifluoromethyl)phenyl)-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 5-(4-methylsulfanylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
- English name
- Methyl 5-(4-methylsulfanyl-phenyl)-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylate
- Molecular formula
- C19H15F3N2O2S
- Molecular weight
- 392.39
Names & synonyms
641639-55-6Methyl 1-(4-(trifluoromethyl)phenyl)-5-(4-(methylthio)phenyl)-1H-pyrazole-3-carboxylatemethyl 5-(4-(methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylateMETHYL 5-(4-METHYLSULFANYL-PHENYL)-1-(4-TRIFLUOROMETHYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATEMFCD04973408methyl 5-(4-methylsulfanylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylateMethyl 5-(4-methylsulfanylphenyl)-1-(4-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylateSCHEMBL3870911DTXSID80621499KSGGVVZMQIRRLK-UHFFFAOYSA-NAKOS027327744SB38093
Show more names
1H-Pyrazole-3-carboxylic acid, 5-[4-(methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-, methyl ester
1H-Pyrazole-3-carboxylicacid, 5-[4-(methylthio)phenyl]-1-[4-(trifluoromethyl)phenyl]-, methyl esterCS-0361876F471632methyl5-(4-(methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylateMethyl 5-[4-(methylsulfanyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
641639-55-6- PubChem CID
- 22014707
- DTXSID
DTXSID80621499
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 504
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海相辉医药科技有限公司[email protected]
上海智乾生物科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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