5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one

C11H16N4O2 — CID 155434684

IUPAC5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2cnn3c2CNCC3)C(=O)O1
InChIInChI=1S/C11H16N4O2/c1-11(2)7-14(10(16)17-11)8-6-13-15-4-3-12-5-9(8)15/h6,12H,3-5,7H2,1-2H3
InChIKeyWEGFTZVUIACEHN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.72
Rot. Bonds1

About 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one

5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one (PubChem CID 155434684) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one
PubChem CID155434684
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2cnn3c2CNCC3)C(=O)O1
InChIInChI=1S/C11H16N4O2/c1-11(2)7-14(10(16)17-11)8-6-13-15-4-3-12-5-9(8)15/h6,12H,3-5,7H2,1-2H3
InChIKeyWEGFTZVUIACEHN-UHFFFAOYSA-N
XLogP0.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one (CID 155434684) is 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one is CC1(C)CN(c2cnn3c2CNCC3)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is WEGFTZVUIACEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2)7-14(10(16)17-11)8-6-13-15-4-3-12-5-9(8)15/h6,12H,3-5,7H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one?
5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 155434684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).