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

C16H27N3O3S — CID 90649862

IUPAC1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C1CCCCCC1)C2
InChIInChI=1S/C16H27N3O3S/c1-23(21,22)12-16(20)15-10-14-11-18(8-9-19(14)17-15)13-6-4-2-3-5-7-13/h10,13,16,20H,2-9,11-12H2,1H3
InChIKeyNWEJBGKBZBUEPP-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.50
Rot. Bonds4

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

1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol (PubChem CID 90649862) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
PubChem CID90649862
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C1CCCCCC1)C2
InChIInChI=1S/C16H27N3O3S/c1-23(21,22)12-16(20)15-10-14-11-18(8-9-19(14)17-15)13-6-4-2-3-5-7-13/h10,13,16,20H,2-9,11-12H2,1H3
InChIKeyNWEJBGKBZBUEPP-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol (CID 90649862) is 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(C1CCCCCC1)C2.
What is the InChIKey of 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The InChIKey is NWEJBGKBZBUEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-23(21,22)12-16(20)15-10-14-11-18(8-9-19(14)17-15)13-6-4-2-3-5-7-13/h10,13,16,20H,2-9,11-12H2,1H3.
What are the key properties of 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol has a molecular weight of 341.48 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 90649862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).