1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one

C17H28N4O2 — CID 75497122

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(NC3CC(C)(C)OC3(C)C)C2=O)n(C)n1
InChIInChI=1S/C17H28N4O2/c1-11-9-14(20(6)19-11)21-8-7-12(15(21)22)18-13-10-16(2,3)23-17(13,4)5/h9,12-13,18H,7-8,10H2,1-6H3
InChIKeyYWLRFEYIRQGXSG-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.77
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one (PubChem CID 75497122) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
PubChem CID75497122
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(NC3CC(C)(C)OC3(C)C)C2=O)n(C)n1
InChIInChI=1S/C17H28N4O2/c1-11-9-14(20(6)19-11)21-8-7-12(15(21)22)18-13-10-16(2,3)23-17(13,4)5/h9,12-13,18H,7-8,10H2,1-6H3
InChIKeyYWLRFEYIRQGXSG-UHFFFAOYSA-N
XLogP1.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one (CID 75497122) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one is Cc1cc(N2CCC(NC3CC(C)(C)OC3(C)C)C2=O)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
The InChIKey is YWLRFEYIRQGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-11-9-14(20(6)19-11)21-8-7-12(15(21)22)18-13-10-16(2,3)23-17(13,4)5/h9,12-13,18H,7-8,10H2,1-6H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 75497122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).