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

C22H18ClN3O3S — CID 135355515

IUPAC4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3S(C)(=O)=O)c2)c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C22H18ClN3O3S/c1-25-14-19(18(11-22(25)27)15-7-9-17(23)10-8-15)16-12-24-26(13-16)20-5-3-4-6-21(20)30(2,28)29/h3-14H,1-2H3
InChIKeyGNWGEXFCZAIQLR-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.96
Rot. Bonds4

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

4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355515) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355515
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3S(C)(=O)=O)c2)c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C22H18ClN3O3S/c1-25-14-19(18(11-22(25)27)15-7-9-17(23)10-8-15)16-12-24-26(13-16)20-5-3-4-6-21(20)30(2,28)29/h3-14H,1-2H3
InChIKeyGNWGEXFCZAIQLR-UHFFFAOYSA-N
XLogP3.96
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (CID 135355515) is 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is Cn1cc(-c2cnn(-c3ccccc3S(C)(=O)=O)c2)c(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is GNWGEXFCZAIQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-25-14-19(18(11-22(25)27)15-7-9-17(23)10-8-15)16-12-24-26(13-16)20-5-3-4-6-21(20)30(2,28)29/h3-14H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 439.92 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).