Basic information
- CAS
900286-57-9- Standard SMILES
Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3Cl)c2n1- InChIKey
QAUOLKCRRZQVHH-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.1247389
Names & identifiers
- Preferred name
- 4-[3-(2-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
- IUPAC
- 4-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
Names & synonyms
900286-57-94-[3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine3-(2-chlorophenyl)-2,5-dimethyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine4-(3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholineMLS001216596F3348-0577CHEMBL1551986DTXSID201324516HMS2871O15STK852945AKOS002300389SMR000544126
Show more names
ST50782340MLS-0328212.0001Z4319503484-[3-(2-chlorophenyl)-2,5-dimethyl-8-hydropyrazolo[1,5-a]pyrimidin-7-yl]morpho line
Database identifiers
- CAS
900286-57-9- PubChem CID
- 4975166
- DTXSID
DTXSID201324516- ChEMBL
CHEMBL1551986
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility4.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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