4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one

C17H16FN3O2 — CID 135355353

IUPAC4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C17H16FN3O2/c1-3-23-16-8-17(22)20(2)11-13(16)12-9-19-21(10-12)15-7-5-4-6-14(15)18/h4-11H,3H2,1-2H3
InChIKeyGSWHPXXDULHYFI-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.78
Rot. Bonds4

About 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one

4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one (PubChem CID 135355353) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one
PubChem CID135355353
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C17H16FN3O2/c1-3-23-16-8-17(22)20(2)11-13(16)12-9-19-21(10-12)15-7-5-4-6-14(15)18/h4-11H,3H2,1-2H3
InChIKeyGSWHPXXDULHYFI-UHFFFAOYSA-N
XLogP2.78
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one (CID 135355353) is 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one?
The InChIKey is GSWHPXXDULHYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-3-23-16-8-17(22)20(2)11-13(16)12-9-19-21(10-12)15-7-5-4-6-14(15)18/h4-11H,3H2,1-2H3.
What are the key properties of 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one?
4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one has a molecular weight of 313.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-[1-(2-fluorophenyl)pyrazol-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 135355353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).