2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one

C15H17N3O3 — CID 103119421

IUPAC2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one
SMILESCC1(C)OC(C)(C)C(C(=O)c2cnn3ccncc23)C1=O
InChIInChI=1S/C15H17N3O3/c1-14(2)11(13(20)15(3,4)21-14)12(19)9-7-17-18-6-5-16-8-10(9)18/h5-8,11H,1-4H3
InChIKeyZKAHQKGBXQEIRO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.68
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one

2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one (PubChem CID 103119421) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one
PubChem CID103119421
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one
SMILESCC1(C)OC(C)(C)C(C(=O)c2cnn3ccncc23)C1=O
InChIInChI=1S/C15H17N3O3/c1-14(2)11(13(20)15(3,4)21-14)12(19)9-7-17-18-6-5-16-8-10(9)18/h5-8,11H,1-4H3
InChIKeyZKAHQKGBXQEIRO-UHFFFAOYSA-N
XLogP1.68
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one (CID 103119421) is 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one is CC1(C)OC(C)(C)C(C(=O)c2cnn3ccncc23)C1=O.
What is the InChIKey of 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one?
The InChIKey is ZKAHQKGBXQEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-14(2)11(13(20)15(3,4)21-14)12(19)9-7-17-18-6-5-16-8-10(9)18/h5-8,11H,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one?
2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one has a molecular weight of 287.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)oxolan-3-one is sourced from PubChem (CID 103119421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).