Basic information
- Standard SMILES
CC(C)(CN1CCOCC1)NC(=O)Cn1nc(-c2c[nH]nn2)cc1Cc1ccc(F)cc1- InChIKey
JQRUUSGXBAIIHJ-UHFFFAOYSA-N- Molecular formula
- C22H28FN7O2
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.22885132
Names & identifiers
- Preferred name
- N-(1,1-dimethyl-2-morpholin-4-ylethyl)-2-[5-(4-fluorobenzyl)-3-(1H-1,2,3-triazol-4-yl)-1H-pyrazol-1-yl]acetamide
- IUPAC
- 2-[5-[(4-fluorophenyl)methyl]-3-(2H-triazol-4-yl)pyrazol-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)acetamide
Names & synonyms
SCHEMBL1602637JQRUUSGXBAIIHJ-UHFFFAOYSA-NN-(1,1-dimethyl-2-morpholin-4-ylethyl)-2-[5-(4-fluorobenzyl)-3-(1H-1,2,3-triazol-4-yl)-1H-pyrazol-1-yl]acetamide
Database identifiers
- PubChem CID
- 67092203
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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