1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one

C14H21ClN4O3S — CID 95563509

IUPAC1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1
InChIInChI=1S/C14H21ClN4O3S/c1-10-13(14(15)17(2)16-10)23(21,22)18-7-3-5-11(9-18)19-8-4-6-12(19)20/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyAPYYYMSITSRTHV-LLVKDONJSA-N
MW360.87 g/mol
LogP1.16
Rot. Bonds3

About 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one

1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one (PubChem CID 95563509) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
PubChem CID95563509
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC Name1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1
InChIInChI=1S/C14H21ClN4O3S/c1-10-13(14(15)17(2)16-10)23(21,22)18-7-3-5-11(9-18)19-8-4-6-12(19)20/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyAPYYYMSITSRTHV-LLVKDONJSA-N
XLogP1.16
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-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

(1R,6S)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 56707031
(1S,2S,6R,7R)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-azatricyclo[5.2.1.02,6]decane
CID 56902731
(3R,4R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(hydroxymethyl)piperidin-3-ol
CID 56900685
(3aR,7aS)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 56883410
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687
1-[1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 46853680
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55913799
(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 92952190
(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330663
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
CID 129338982
3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3834046
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one (CID 95563509) is 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1.
What is the InChIKey of 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one?
The InChIKey is APYYYMSITSRTHV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN4O3S/c1-10-13(14(15)17(2)16-10)23(21,22)18-7-3-5-11(9-18)19-8-4-6-12(19)20/h11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one?
1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one has a molecular weight of 360.87 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 95563509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).