2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C16H25N3O4S — CID 90653212

IUPAC2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C16H25N3O4S/c1-24(22,23)11-15(20)14-9-13-10-18(6-7-19(13)17-14)16(21)8-12-4-2-3-5-12/h9,12,15,20H,2-8,10-11H2,1H3
InChIKeyFQMBUFIJJHHLRD-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.88
Rot. Bonds5

About 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 90653212) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID90653212
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C16H25N3O4S/c1-24(22,23)11-15(20)14-9-13-10-18(6-7-19(13)17-14)16(21)8-12-4-2-3-5-12/h9,12,15,20H,2-8,10-11H2,1H3
InChIKeyFQMBUFIJJHHLRD-UHFFFAOYSA-N
XLogP0.88
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 90653212) is 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(C(=O)CC1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is FQMBUFIJJHHLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-24(22,23)11-15(20)14-9-13-10-18(6-7-19(13)17-14)16(21)8-12-4-2-3-5-12/h9,12,15,20H,2-8,10-11H2,1H3.
What are the key properties of 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 355.46 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 90653212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).