5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one

C17H17N3O — CID 135355213

IUPAC5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one
SMILESCc1nn(C)cc1-c1cn(C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12-15(11-20(3)18-12)16-10-19(2)17(21)9-14(16)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyCLYLIGJZGREYAL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds2

About 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one

5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355213) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one
PubChem CID135355213
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one
SMILESCc1nn(C)cc1-c1cn(C)c(=O)cc1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12-15(11-20(3)18-12)16-10-19(2)17(21)9-14(16)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyCLYLIGJZGREYAL-UHFFFAOYSA-N
XLogP2.76
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one (CID 135355213) is 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one is Cc1nn(C)cc1-c1cn(C)c(=O)cc1-c1ccccc1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
The InChIKey is CLYLIGJZGREYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-15(11-20(3)18-12)16-10-19(2)17(21)9-14(16)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one?
5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).