5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one

C22H25ClN4O3S — CID 134339040

IUPAC5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)cn2)ccc1=O
InChIInChI=1S/C22H25ClN4O3S/c1-2-10-25-16-18(6-9-22(25)28)27-15-17(14-24-27)20-8-7-19(13-21(20)23)31(29,30)26-11-4-3-5-12-26/h6-9,13-16H,2-5,10-12H2,1H3
InChIKeyRJRGQTIELCAIPT-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.94
Rot. Bonds6

About 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one

5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one (PubChem CID 134339040) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
PubChem CID134339040
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
SMILESCCCn1cc(-n2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)cn2)ccc1=O
InChIInChI=1S/C22H25ClN4O3S/c1-2-10-25-16-18(6-9-22(25)28)27-15-17(14-24-27)20-8-7-19(13-21(20)23)31(29,30)26-11-4-3-5-12-26/h6-9,13-16H,2-5,10-12H2,1H3
InChIKeyRJRGQTIELCAIPT-UHFFFAOYSA-N
XLogP3.94
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The IUPAC name of 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one (CID 134339040) is 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The canonical SMILES for 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one is CCCn1cc(-n2cc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)cn2)ccc1=O.
What is the InChIKey of 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
The InChIKey is RJRGQTIELCAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-2-10-25-16-18(6-9-22(25)28)27-15-17(14-24-27)20-8-7-19(13-21(20)23)31(29,30)26-11-4-3-5-12-26/h6-9,13-16H,2-5,10-12H2,1H3.
What are the key properties of 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one?
5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one has a molecular weight of 460.99 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chloro-4-piperidin-1-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one is sourced from PubChem (CID 134339040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).