Ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Basic information
- CAS
159885-63-9- Standard SMILES
CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F- InChIKey
JTYLQNYWSPXULI-UHFFFAOYSA-N- Molecular formula
- C16H11ClF3N3O2S
- Average molar mass
- 401.8 g/mol
- Monoisotopic mass
- 401.02126
Names & identifiers
- Preferred name
- Ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
- English name
- Ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- Molecular formula
- C16H11ClF3N3O2S
- Molecular weight
- 401.79
Names & synonyms
159885-63-9Ethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateEthyl 1-(4-(4-chlorophenyl)thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylateMFCD00665229Ethyl 1-[4-(4-chlorophenyl)thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateDTXSID60363289AKOS0050710087K-518SCCG-255750CS-0328619F727756
Show more names
BUTTPARK 23\02-07Ethyl1-[4-(4-chlorophenyl)thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate97%ETHYL 1-[4-(4-CHLOROPHENYL)-1.3-THIAZOL-2-YL]-4-(TRIFLUOROMETHYL)-1H-PYRAZOLE-3-CARBOXYLATE1H-Pyrazole-4-carboxylic acid, 1-[4-(4-chlorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-, ethyl ester
ethyl 1-[4-(4-chlorophenyl)thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylateEthyl1-(4-(4-chlorophenyl)thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 98 · 98-100
- Boiling point
- 533.3 · 533.3±60.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -1.47 · -1.47±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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