Basic information
- CAS
957294-88-1- Standard SMILES
CC(=O)c1cnn(-c2cc(Oc3ccc(F)cc3)ncn2)c1C- InChIKey
XEWMXKPFRQWOAE-UHFFFAOYSA-N- Molecular formula
- C16H13FN4O2
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.10225383
Names & identifiers
- Preferred name
- 1-{1-[6-(4-fluorophenoxy)-4-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}ethanone
- IUPAC
- 1-[1-[6-(4-fluorophenoxy)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
- English name
- 1-{1-[6-(4-fluorophenoxy)-4-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}ethanone
- Molecular formula
- C16H13FN4O2
- Molecular weight
- 312.2984232
Names & synonyms
1-{1-[6-(4-fluorophenoxy)-4-pyrimidinyl]-5-methyl-1H-pyrazol-4-yl}ethanoneMLS000539041CHEMBL1464601HMS2173E221-[1-[6-(4-fluorophenoxy)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanoneSMR000161507AP-501/42553006
Database identifiers
- CAS
957294-88-1- PubChem CID
- 1818832
- ChEMBL
CHEMBL1464601
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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