3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione

C11H16N4O3 — CID 54962543

IUPAC3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCOCCn1cc(NC2CC(=O)N(C)C2=O)cn1
InChIInChI=1S/C11H16N4O3/c1-14-10(16)5-9(11(14)17)13-8-6-12-15(7-8)3-4-18-2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyWJPPZMIABSAKKU-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.30
Rot. Bonds5

About 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione

3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 54962543) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione
PubChem CID54962543
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione
SMILESCOCCn1cc(NC2CC(=O)N(C)C2=O)cn1
InChIInChI=1S/C11H16N4O3/c1-14-10(16)5-9(11(14)17)13-8-6-12-15(7-8)3-4-18-2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyWJPPZMIABSAKKU-UHFFFAOYSA-N
XLogP-0.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione (CID 54962543) is 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione is COCCn1cc(NC2CC(=O)N(C)C2=O)cn1.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is WJPPZMIABSAKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-10(16)5-9(11(14)17)13-8-6-12-15(7-8)3-4-18-2/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione?
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 54962543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).