[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

C14H22N4O3S — CID 91910294

IUPAC[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3cn[nH]c3)C2)CC1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)18-6-3-11(4-7-18)12-2-5-17(10-12)14(19)13-8-15-16-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,15,16)
InChIKeyOFXJCSBWFXSXDV-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.54
Rot. Bonds3

About [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 91910294) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID91910294
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3cn[nH]c3)C2)CC1
InChIInChI=1S/C14H22N4O3S/c1-22(20,21)18-6-3-11(4-7-18)12-2-5-17(10-12)14(19)13-8-15-16-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,15,16)
InChIKeyOFXJCSBWFXSXDV-UHFFFAOYSA-N
XLogP0.54
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 91910294) is [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is CS(=O)(=O)N1CCC(C2CCN(C(=O)c3cn[nH]c3)C2)CC1.
What is the InChIKey of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is OFXJCSBWFXSXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-22(20,21)18-6-3-11(4-7-18)12-2-5-17(10-12)14(19)13-8-15-16-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,15,16).
What are the key properties of [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 326.42 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 91910294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).