1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C16H21N3O3S — CID 91769426

IUPAC1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCC(O)c1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H21N3O3S/c1-13(20)16-11-14-12-18(7-8-19(14)17-16)9-10-23(21,22)15-5-3-2-4-6-15/h2-6,11,13,20H,7-10,12H2,1H3
InChIKeyVLMFWXGPZVGKRK-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.23
Rot. Bonds5

About 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 91769426) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID91769426
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCC(O)c1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H21N3O3S/c1-13(20)16-11-14-12-18(7-8-19(14)17-16)9-10-23(21,22)15-5-3-2-4-6-15/h2-6,11,13,20H,7-10,12H2,1H3
InChIKeyVLMFWXGPZVGKRK-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 91769426) is 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is CC(O)c1cc2n(n1)CCN(CCS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is VLMFWXGPZVGKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13(20)16-11-14-12-18(7-8-19(14)17-16)9-10-23(21,22)15-5-3-2-4-6-15/h2-6,11,13,20H,7-10,12H2,1H3.
What are the key properties of 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 335.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(benzenesulfonyl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 91769426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).