1-(4-fluorophenyl)-3-methylpyrazin-2-one

C11H9FN2O — CID 163969360

IUPAC1-(4-fluorophenyl)-3-methylpyrazin-2-one
SMILESCc1nccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H9FN2O/c1-8-11(15)14(7-6-13-8)10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeySOPZFCSOKNVTAJ-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.68
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methylpyrazin-2-one

1-(4-fluorophenyl)-3-methylpyrazin-2-one (PubChem CID 163969360) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylpyrazin-2-one
PubChem CID163969360
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-(4-fluorophenyl)-3-methylpyrazin-2-one
SMILESCc1nccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H9FN2O/c1-8-11(15)14(7-6-13-8)10-4-2-9(12)3-5-10/h2-7H,1H3
InChIKeySOPZFCSOKNVTAJ-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(4-fluorophenyl)pyrazin-2-one
CID 67221416
methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
CID 170694441
3-[(4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)pyrazin-2-one
CID 46337638
1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
CID 143672150
N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
2-[1-[1-(4-fluorophenyl)imidazol-2-yl]ethyl]isoindole-1,3-dione
CID 154672797
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
3-[(4-chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)pyrazin-2-one
CID 16824560
1-(4-fluorophenyl)imidazole-2-carbonitrile
CID 84660888
1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 7386613

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylpyrazin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methylpyrazin-2-one (CID 163969360) is 1-(4-fluorophenyl)-3-methylpyrazin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylpyrazin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylpyrazin-2-one is Cc1nccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylpyrazin-2-one?
The InChIKey is SOPZFCSOKNVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8-11(15)14(7-6-13-8)10-4-2-9(12)3-5-10/h2-7H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylpyrazin-2-one?
1-(4-fluorophenyl)-3-methylpyrazin-2-one has a molecular weight of 204.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylpyrazin-2-one is sourced from PubChem (CID 163969360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).