2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one

C13H19N3O3S — CID 104709969

IUPAC2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
SMILESCn1nccc1S(=O)(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H19N3O3S/c1-15-13(7-8-14-15)20(18,19)16-9-3-5-11(16)10-4-2-6-12(10)17/h7-8,10-11H,2-6,9H2,1H3
InChIKeyBLXXYYFYURFDBN-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.94
Rot. Bonds3

About 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 104709969) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
PubChem CID104709969
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
SMILESCn1nccc1S(=O)(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C13H19N3O3S/c1-15-13(7-8-14-15)20(18,19)16-9-3-5-11(16)10-4-2-6-12(10)17/h7-8,10-11H,2-6,9H2,1H3
InChIKeyBLXXYYFYURFDBN-UHFFFAOYSA-N
XLogP0.94
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one (CID 104709969) is 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one is Cn1nccc1S(=O)(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is BLXXYYFYURFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-15-13(7-8-14-15)20(18,19)16-9-3-5-11(16)10-4-2-6-12(10)17/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 297.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 104709969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).