1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one

C16H14FN3O — CID 71540388

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one
SMILESCn1cc(-c2ccc(Cn3ccccc3=O)c(F)c2)cn1
InChIInChI=1S/C16H14FN3O/c1-19-10-14(9-18-19)12-5-6-13(15(17)8-12)11-20-7-3-2-4-16(20)21/h2-10H,11H2,1H3
InChIKeyUNWPFEUDGCISRG-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.44
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one (PubChem CID 71540388) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one
PubChem CID71540388
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one
SMILESCn1cc(-c2ccc(Cn3ccccc3=O)c(F)c2)cn1
InChIInChI=1S/C16H14FN3O/c1-19-10-14(9-18-19)12-5-6-13(15(17)8-12)11-20-7-3-2-4-16(20)21/h2-10H,11H2,1H3
InChIKeyUNWPFEUDGCISRG-UHFFFAOYSA-N
XLogP2.44
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one (CID 71540388) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one is Cn1cc(-c2ccc(Cn3ccccc3=O)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one?
The InChIKey is UNWPFEUDGCISRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-19-10-14(9-18-19)12-5-6-13(15(17)8-12)11-20-7-3-2-4-16(20)21/h2-10H,11H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one has a molecular weight of 283.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 71540388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).