1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol

C15H25N3O3S — CID 90653985

IUPAC1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(CC1CCCC1)C2
InChIInChI=1S/C15H25N3O3S/c1-22(20,21)11-15(19)14-8-13-10-17(6-7-18(13)16-14)9-12-4-2-3-5-12/h8,12,15,19H,2-7,9-11H2,1H3
InChIKeyGHPGVNLGGIKNCD-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.97
Rot. Bonds5

About 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol

1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (PubChem CID 90653985) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
PubChem CID90653985
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(CC1CCCC1)C2
InChIInChI=1S/C15H25N3O3S/c1-22(20,21)11-15(19)14-8-13-10-17(6-7-18(13)16-14)9-12-4-2-3-5-12/h8,12,15,19H,2-7,9-11H2,1H3
InChIKeyGHPGVNLGGIKNCD-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The IUPAC name of 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (CID 90653985) is 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.
What is the SMILES notation for 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The canonical SMILES for 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(CC1CCCC1)C2.
What is the InChIKey of 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The InChIKey is GHPGVNLGGIKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-22(20,21)11-15(19)14-8-13-10-17(6-7-18(13)16-14)9-12-4-2-3-5-12/h8,12,15,19H,2-7,9-11H2,1H3.
What are the key properties of 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol has a molecular weight of 327.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is sourced from PubChem (CID 90653985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).