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

C11H17N3O — CID 3073529

IUPAC1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one
SMILESCc1cc(C)n(C(C)N2CCCC2=O)n1
InChIInChI=1S/C11H17N3O/c1-8-7-9(2)14(12-8)10(3)13-6-4-5-11(13)15/h7,10H,4-6H2,1-3H3
InChIKeyVGEWLWMCRQNEAZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds2

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

1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 3073529) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one
PubChem CID3073529
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one
SMILESCc1cc(C)n(C(C)N2CCCC2=O)n1
InChIInChI=1S/C11H17N3O/c1-8-7-9(2)14(12-8)10(3)13-6-4-5-11(13)15/h7,10H,4-6H2,1-3H3
InChIKeyVGEWLWMCRQNEAZ-UHFFFAOYSA-N
XLogP1.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one (CID 3073529) is 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one is Cc1cc(C)n(C(C)N2CCCC2=O)n1.
What is the InChIKey of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is VGEWLWMCRQNEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-9(2)14(12-8)10(3)13-6-4-5-11(13)15/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one?
1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3073529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).