4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C17H16FN3O — CID 135355395

IUPAC4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2F)cn1
InChIInChI=1S/C17H16FN3O/c1-12(13-6-4-3-5-7-13)21-10-14(9-19-21)15-11-20(2)17(22)8-16(15)18/h3-12H,1-2H3
InChIKeyHERXANUVIMERNW-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.00
Rot. Bonds3

About 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355395) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355395
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2F)cn1
InChIInChI=1S/C17H16FN3O/c1-12(13-6-4-3-5-7-13)21-10-14(9-19-21)15-11-20(2)17(22)8-16(15)18/h3-12H,1-2H3
InChIKeyHERXANUVIMERNW-UHFFFAOYSA-N
XLogP3.00
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355395) is 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2F)cn1.
What is the InChIKey of 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is HERXANUVIMERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12(13-6-4-3-5-7-13)21-10-14(9-19-21)15-11-20(2)17(22)8-16(15)18/h3-12H,1-2H3.
What are the key properties of 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 297.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).