3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione

C13H19N3O2 — CID 71930860

IUPAC3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)n1ccc(CN2C(=O)CC(C)(C)C2=O)n1
InChIInChI=1S/C13H19N3O2/c1-9(2)16-6-5-10(14-16)8-15-11(17)7-13(3,4)12(15)18/h5-6,9H,7-8H2,1-4H3
InChIKeyDXFPFYOWSSMCMB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.75
Rot. Bonds3

About 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 71930860) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione
PubChem CID71930860
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione
SMILESCC(C)n1ccc(CN2C(=O)CC(C)(C)C2=O)n1
InChIInChI=1S/C13H19N3O2/c1-9(2)16-6-5-10(14-16)8-15-11(17)7-13(3,4)12(15)18/h5-6,9H,7-8H2,1-4H3
InChIKeyDXFPFYOWSSMCMB-UHFFFAOYSA-N
XLogP1.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione (CID 71930860) is 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione is CC(C)n1ccc(CN2C(=O)CC(C)(C)C2=O)n1.
What is the InChIKey of 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is DXFPFYOWSSMCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)16-6-5-10(14-16)8-15-11(17)7-13(3,4)12(15)18/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71930860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).