1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one

C20H21N3O2 — CID 135355209

IUPAC1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCOCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C20H21N3O2/c1-22-14-19(18(11-20(22)24)15-5-3-2-4-6-15)16-12-21-23(13-16)17-7-9-25-10-8-17/h2-6,11-14,17H,7-10H2,1H3
InChIKeyIYKSOEJUUCDMFK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.27
Rot. Bonds3

About 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one

1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one (PubChem CID 135355209) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one
PubChem CID135355209
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCOCC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C20H21N3O2/c1-22-14-19(18(11-20(22)24)15-5-3-2-4-6-15)16-12-21-23(13-16)17-7-9-25-10-8-17/h2-6,11-14,17H,7-10H2,1H3
InChIKeyIYKSOEJUUCDMFK-UHFFFAOYSA-N
XLogP3.27
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The IUPAC name of 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one (CID 135355209) is 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one is Cn1cc(-c2cnn(C3CCOCC3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The InChIKey is IYKSOEJUUCDMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-14-19(18(11-20(22)24)15-5-3-2-4-6-15)16-12-21-23(13-16)17-7-9-25-10-8-17/h2-6,11-14,17H,7-10H2,1H3.
What are the key properties of 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one is sourced from PubChem (CID 135355209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).