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

C17H28N4O2 — CID 97102091

IUPAC(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@@H](N[C@@H]3CC(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/t12-,13-/m1/s1
InChIKeyYWLRFEYIRQGXSG-CHWSQXEVSA-N
MW320.44 g/mol
LogP1.77
Rot. Bonds3

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

(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one (PubChem CID 97102091) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one
PubChem CID97102091
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@@H](N[C@@H]3CC(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/t12-,13-/m1/s1
InChIKeyYWLRFEYIRQGXSG-CHWSQXEVSA-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 (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one (CID 97102091) is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one is Cc1cc(N2CC[C@@H](N[C@@H]3CC(C)(C)OC3(C)C)C2=O)n(C)n1.
What is the InChIKey of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one?
The InChIKey is YWLRFEYIRQGXSG-CHWSQXEVSA-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/t12-,13-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one?
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-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 (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97102091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).