[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

C14H19N3O4 — CID 55505462

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCC(=O)N2CCCC2=O)n1
InChIInChI=1S/C14H19N3O4/c1-10-8-11(2)17(15-10)7-5-14(20)21-9-13(19)16-6-3-4-12(16)18/h8H,3-7,9H2,1-2H3
InChIKeyWKCXLZRSRNHQNQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.58
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 55505462) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID55505462
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCC(=O)N2CCCC2=O)n1
InChIInChI=1S/C14H19N3O4/c1-10-8-11(2)17(15-10)7-5-14(20)21-9-13(19)16-6-3-4-12(16)18/h8H,3-7,9H2,1-2H3
InChIKeyWKCXLZRSRNHQNQ-UHFFFAOYSA-N
XLogP0.58
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 55505462) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate is Cc1cc(C)n(CCC(=O)OCC(=O)N2CCCC2=O)n1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is WKCXLZRSRNHQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-8-11(2)17(15-10)7-5-14(20)21-9-13(19)16-6-3-4-12(16)18/h8H,3-7,9H2,1-2H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 293.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 55505462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).