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

C10H17N3O3S — CID 170435566

IUPAC[5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C10H17N3O3S/c1-17(15,16)5-4-12-2-3-13-10(7-12)6-9(8-14)11-13/h6,14H,2-5,7-8H2,1H3
InChIKeyWWDHSMBTYVVMIF-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.76
Rot. Bonds4

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

[5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 170435566) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID170435566
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name[5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCn2nc(CO)cc2C1
InChIInChI=1S/C10H17N3O3S/c1-17(15,16)5-4-12-2-3-13-10(7-12)6-9(8-14)11-13/h6,14H,2-5,7-8H2,1H3
InChIKeyWWDHSMBTYVVMIF-UHFFFAOYSA-N
XLogP-0.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 170435566) is [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is CS(=O)(=O)CCN1CCn2nc(CO)cc2C1.
What is the InChIKey of [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is WWDHSMBTYVVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-17(15,16)5-4-12-2-3-13-10(7-12)6-9(8-14)11-13/h6,14H,2-5,7-8H2,1H3.
What are the key properties of [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 259.33 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 170435566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).