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

C16H14ClN3O3S — CID 135355465

IUPAC4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3S(C)(=O)=O)c2)c(Cl)cc1=O
InChIInChI=1S/C16H14ClN3O3S/c1-19-10-12(13(17)7-16(19)21)11-8-18-20(9-11)14-5-3-4-6-15(14)24(2,22)23/h3-10H,1-2H3
InChIKeyFHOVNCYHCDLWSW-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.29
Rot. Bonds3

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

4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355465) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355465
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cnn(-c3ccccc3S(C)(=O)=O)c2)c(Cl)cc1=O
InChIInChI=1S/C16H14ClN3O3S/c1-19-10-12(13(17)7-16(19)21)11-8-18-20(9-11)14-5-3-4-6-15(14)24(2,22)23/h3-10H,1-2H3
InChIKeyFHOVNCYHCDLWSW-UHFFFAOYSA-N
XLogP2.29
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (CID 135355465) is 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is Cn1cc(-c2cnn(-c3ccccc3S(C)(=O)=O)c2)c(Cl)cc1=O.
What is the InChIKey of 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is FHOVNCYHCDLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-19-10-12(13(17)7-16(19)21)11-8-18-20(9-11)14-5-3-4-6-15(14)24(2,22)23/h3-10H,1-2H3.
What are the key properties of 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 363.83 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).