Basic information
- CAS
1351479-11-2- Standard SMILES
CCOC(=O)c1cc(C)nn1Cc1ncc(C(F)(F)F)cc1Cl- InChIKey
NMULUOLWUJZFRA-UHFFFAOYSA-N- Molecular formula
- C14H13ClF3N3O2
- Average molar mass
- 347.72 g/mol
- Monoisotopic mass
- 347.0648388
Names & identifiers
- Preferred name
- 2-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methylpyrazole-3-carboxylate
- English name
- 2-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl
- Molecular formula
- C14H13ClF3N3O2
- Molecular weight
- 347.72
Names & synonyms
1351479-11-22-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl esterethyl 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-3-methyl-1H-pyrazole-5-carboxylateMFCD20526237ethyl 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-5-methylpyrazole-3-carboxylateEthyl 1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-methyl-1H-pyrazole-5-carboxylateDTXSID401110492AKOS015996626F317437ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]-5-methyl-pyrazole-3-carboxylate1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester1H-Pyrazole-5-carboxylic acid, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-methyl-, ethyl ester
Show more names
2-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-5-methyl-2H-pyrazole-3-carboxylic acid ethyl
ethyl1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-3-methyl-1H-pyrazole-5-carboxylate
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 409.7 · 409.7±45.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.10(Predicted)
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
Chemistry & industry
Suppliers4 total
SYNQUEST[email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
高级化学中间体有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…