Basic information
- CAS
21621-73-8- Standard SMILES
CC(=O)c1cnn(-c2cnc3ccccc3n2)c1C- InChIKey
WJUROSUYIAUHMJ-UHFFFAOYSA-N- Molecular formula
- C14H12N4O
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.10111102
Names & identifiers
- Preferred name
- Ketone, methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl
- IUPAC
- 1-(5-methyl-1-quinoxalin-2-ylpyrazol-4-yl)ethanone
Names & synonyms
Methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl ketoneBRN 075242321621-73-8DTXSID60176013KETONE, METHYL 5-METHYL-1-(2-QUINOXALINYL)-4-PYRAZOLYL5-25-17-00411 (Beilstein Handbook Reference)RefChem:350479DTXCID00985041-[5-Methyl-1-(quinoxalin-2-yl)-1H-pyrazol-4-yl]ethan-1-one
Database identifiers
- CAS
21621-73-8- PubChem CID
- 30713
- DTXSID
DTXSID60176013
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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