Basic information
- CAS
505054-23-9- Standard SMILES
Cc1ccc(C2CC(C(F)F)n3ncc(C(=O)N4CCOCC4)c3N2)cc1- InChIKey
WZEPCAXMBAKNGA-UHFFFAOYSA-N- Molecular formula
- C19H22F2N4O2
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.17108228
Names & identifiers
- Preferred name
- 7-(difluoromethyl)-5-(4-methylphenyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperh ydroin-3-yl) morpholin-4-yl ketone
- IUPAC
- [7-(difluoromethyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
Names & synonyms
DTXSID901107242AKOS005441675505054-23-9ST506355807-(difluoromethyl)-5-(4-methylphenyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperh ydroin-3-yl) morpholin-4-yl ketoneMethanone, [7-(difluoromethyl)-4,5,6,7-tetrahydro-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-4-morpholinyl-
Database identifiers
- CAS
505054-23-9- PubChem CID
- 3145572
- DTXSID
DTXSID901107242
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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