Basic information
- CAS
878247-93-9- Standard SMILES
O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-n2cccn2)cc1- InChIKey
RWPHDMCAEONTMM-UHFFFAOYSA-N- Molecular formula
- C22H24N4O2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.18992602
Names & identifiers
- Preferred name
- N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
- IUPAC
- N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
Names & synonyms
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamideMLS002252884CHEMBL1865111DTXSID101330700HMS1779B15HMS3059A10AKOS034693047878247-93-9SMR001315218Z91135754N-({2-[(morpholin-4-yl)methyl]phenyl}methyl)-4-(1H-pyrazol-1-yl)benzamide
Database identifiers
- CAS
878247-93-9- PubChem CID
- 9206602
- DTXSID
DTXSID101330700- ChEMBL
CHEMBL1865111
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
Solubility33.5 [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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