ethyl 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
Basic information
- CAS
955975-47-0- Standard SMILES
CCOC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1- InChIKey
OPRXTZLQAZZRCP-UHFFFAOYSA-N- Molecular formula
- C11H10F3N3O2S
- Average molar mass
- 305.28 g/mol
- Monoisotopic mass
- 305.04458223
Names & identifiers
- Preferred name
- ethyl 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
- IUPAC
- ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
- English name
- Ethyl 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate
- Molecular formula
- C11H10F3N3O2S
- Molecular weight
- 305.28
Names & synonyms
955975-47-0ethyl 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylateEthyl 2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylateethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylateMFCD03305618ethyl 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol -1-yl]-1,3-thiazole-4-carboxylateMLS000763333CHEMBL1384283DTXSID201326598HMS2727P18STL447234AKOS001995738
Show more names
TOSLAB 8049544-Thiazolecarboxylic acid, 2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-, ethyl ester
SMR000336205CS-03216422T-0892ethyl 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylateEthyl2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylate
Database identifiers
- CAS
955975-47-0- PubChem CID
- 1472850
- DTXSID
DTXSID201326598- ChEMBL
CHEMBL1384283
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
Solubility5.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 109 · 109-110°C
- Boiling point
- 393.1 · 393.1±52.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- -2.28 · -2.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
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
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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