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

C16H18N4O4S2 — CID 91778732

IUPAC1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccno3)s1)C2
InChIInChI=1S/C16H18N4O4S2/c1-2-13(21)12-9-11-10-19(7-8-20(11)18-12)26(22,23)16-4-3-15(25-16)14-5-6-17-24-14/h3-6,9,13,21H,2,7-8,10H2,1H3
InChIKeyVDLZNGFRSAYOER-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.25
Rot. Bonds5

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

1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (PubChem CID 91778732) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
PubChem CID91778732
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Name1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
SMILESCCC(O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccno3)s1)C2
InChIInChI=1S/C16H18N4O4S2/c1-2-13(21)12-9-11-10-19(7-8-20(11)18-12)26(22,23)16-4-3-15(25-16)14-5-6-17-24-14/h3-6,9,13,21H,2,7-8,10H2,1H3
InChIKeyVDLZNGFRSAYOER-UHFFFAOYSA-N
XLogP2.25
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The IUPAC name of 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol (CID 91778732) is 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is CCC(O)c1cc2n(n1)CCN(S(=O)(=O)c1ccc(-c3ccno3)s1)C2.
What is the InChIKey of 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
The InChIKey is VDLZNGFRSAYOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-2-13(21)12-9-11-10-19(7-8-20(11)18-12)26(22,23)16-4-3-15(25-16)14-5-6-17-24-14/h3-6,9,13,21H,2,7-8,10H2,1H3.
What are the key properties of 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol?
1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol has a molecular weight of 394.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 91778732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).