3-bromo-5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Basic information
- CAS
313986-51-5- Standard SMILES
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Br)c3n2)cc1- InChIKey
RWDMBZBYYRFCQL-UHFFFAOYSA-N- Molecular formula
- C21H21BrF3N5O3
- Average molar mass
- 528.3 g/mol
- Monoisotopic mass
- 527.07799
Names & identifiers
- Preferred name
- 3-bromo-5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 3-bromo-5-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C21H21BrF3N5O3
- Molecular weight
- 528.32
Names & synonyms
3-bromo-5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide3-bromo-5-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamideCBKinase1_000435CBKinase1_012835HMS1693P18AKOS000561464ST000996AG-219/36042052BRD-K68655069-001-01-1[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimid in-2-yl)]-N-(2-morpholin-4-ylethyl)carboxamide3-bromo-5-(4-methoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide313986-51-5
Show more names
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-5-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)-
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 8.6 · 8.60±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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