ethyl [4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
Basic information
- CAS
1002033-65-9- Standard SMILES
CCOC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1- InChIKey
DBBUGUWOCNGNQM-UHFFFAOYSA-N- Molecular formula
- C11H12ClF3N2O2
- Average molar mass
- 296.67 g/mol
- Monoisotopic mass
- 296.0539398
Names & identifiers
- Preferred name
- ethyl [4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
- IUPAC
- ethyl 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
- English name
- ethyl [4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
- Molecular formula
- C11H12ClF3N2O2
- Molecular weight
- 296.67
Names & synonyms
1002033-65-9Ethyl 2-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetateethyl [4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetateethyl 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetateethyl 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetateMFCD04967315(4-Chloro-5-cyclopropyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl esterDTXSID201153149CQB03365SBB021303STK312662AKOS000305871
Show more names
1H-Pyrazole-1-acetic acid, 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-, ethyl ester
ST099273CS-0299130EN300-229018ethyl 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazolyl]acetateEthyl 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetateEthyl2-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
Database identifiers
- CAS
1002033-65-9- PubChem CID
- 7017152
- DTXSID
DTXSID201153149
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 322.5 · 322.5±42.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -2.76 · -2.76±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…