1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

C15H26N4O3S — CID 91784532

IUPAC1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCN(S(=O)(=O)N1CCCCCC1)C2
InChIInChI=1S/C15H26N4O3S/c1-2-15(20)14-11-13-12-18(9-10-19(13)16-14)23(21,22)17-7-5-3-4-6-8-17/h11,15,20H,2-10,12H2,1H3
InChIKeyMZJJGUURXYUCHL-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.26
Rot. Bonds4

About 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol

1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (PubChem CID 91784532) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
PubChem CID91784532
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCN(S(=O)(=O)N1CCCCCC1)C2
InChIInChI=1S/C15H26N4O3S/c1-2-15(20)14-11-13-12-18(9-10-19(13)16-14)23(21,22)17-7-5-3-4-6-8-17/h11,15,20H,2-10,12H2,1H3
InChIKeyMZJJGUURXYUCHL-UHFFFAOYSA-N
XLogP1.26
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (CID 91784532) is 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is CCC(O)c1cc2n(n1)CCN(S(=O)(=O)N1CCCCCC1)C2.
What is the InChIKey of 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The InChIKey is MZJJGUURXYUCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-2-15(20)14-11-13-12-18(9-10-19(13)16-14)23(21,22)17-7-5-3-4-6-8-17/h11,15,20H,2-10,12H2,1H3.
What are the key properties of 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol has a molecular weight of 342.47 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 91784532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).