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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfonyl]-2-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339033
5-[4-[2-chloro-4-[(1S)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(1R)-1-cyclopropylethoxy]phenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2S)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[2-chloro-4-[(2R)-3-methylbutan-2-yl]oxyphenyl]pyrazol-1-yl]-1-propylpyridin-2-one;5-[4-[3-fluoro-4-(2-methylpropoxy)phenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 161173675
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
CID 71875967
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
5-[4-[4-(cyclopropylmethoxy)-3-methylphenyl]pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339051
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
1-(3,4-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350706
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009

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).