4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one

C18H19N3O4S — CID 135355524

IUPAC4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C18H19N3O4S/c1-4-25-16-9-18(22)20(2)12-14(16)13-10-19-21(11-13)15-7-5-6-8-17(15)26(3,23)24/h5-12H,4H2,1-3H3
InChIKeyAYTSAQWYHOVNGE-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.04
Rot. Bonds5

About 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one

4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355524) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355524
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2S(C)(=O)=O)c1
InChIInChI=1S/C18H19N3O4S/c1-4-25-16-9-18(22)20(2)12-14(16)13-10-19-21(11-13)15-7-5-6-8-17(15)26(3,23)24/h5-12H,4H2,1-3H3
InChIKeyAYTSAQWYHOVNGE-UHFFFAOYSA-N
XLogP2.04
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US10617680, Example 252
CID 135355353
US10617680, Example 284
CID 135355433
US10617680, Example 96
CID 135355486
US10617680, Example 287
CID 135355185
4-Chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
CID 135355465
4-Ethoxy-5-[1-(3-isocyanophenyl)pyrazol-4-yl]-1-methylpyridin-2-one
CID 140929062
4-Ethoxy-1-methyl-5-[1-[methylsulfonyl(phenyl)methyl]pyrazol-4-yl]pyridin-2-one
CID 140929110
4-(2-hydroxy-1-methyl-2H-pyridin-5-yl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
CID 146552312

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (CID 135355524) is 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is CCOc1cc(=O)n(C)cc1-c1cnn(-c2ccccc2S(C)(=O)=O)c1.
What is the InChIKey of 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is AYTSAQWYHOVNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-25-16-9-18(22)20(2)12-14(16)13-10-19-21(11-13)15-7-5-6-8-17(15)26(3,23)24/h5-12H,4H2,1-3H3.
What are the key properties of 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 373.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).