(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C16H20N4O5S — CID 91766199

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2
InChIInChI=1S/C16H20N4O5S/c1-26(23,24)8-13(21)12-6-11-7-19(4-5-20(11)18-12)16(22)14-15(10-2-3-10)25-9-17-14/h6,9-10,13,21H,2-5,7-8H2,1H3
InChIKeyTUOWZBYNYAKKLO-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.48
Rot. Bonds5

About (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 91766199) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID91766199
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2
InChIInChI=1S/C16H20N4O5S/c1-26(23,24)8-13(21)12-6-11-7-19(4-5-20(11)18-12)16(22)14-15(10-2-3-10)25-9-17-14/h6,9-10,13,21H,2-5,7-8H2,1H3
InChIKeyTUOWZBYNYAKKLO-UHFFFAOYSA-N
XLogP0.48
TPSA118.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 91766199) is (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(C(=O)c1ncoc1C1CC1)C2.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is TUOWZBYNYAKKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-26(23,24)8-13(21)12-6-11-7-19(4-5-20(11)18-12)16(22)14-15(10-2-3-10)25-9-17-14/h6,9-10,13,21H,2-5,7-8H2,1H3.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 380.43 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 91766199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).