3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C13H20N4O2 — CID 103790427

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1c(CNC2CC(=O)N(C(C)C)C2=O)cnn1C
InChIInChI=1S/C13H20N4O2/c1-8(2)17-12(18)5-11(13(17)19)14-6-10-7-15-16(4)9(10)3/h7-8,11,14H,5-6H2,1-4H3
InChIKeyWGAZZZFUFBYPRG-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.35
Rot. Bonds4

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 103790427) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID103790427
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1c(CNC2CC(=O)N(C(C)C)C2=O)cnn1C
InChIInChI=1S/C13H20N4O2/c1-8(2)17-12(18)5-11(13(17)19)14-6-10-7-15-16(4)9(10)3/h7-8,11,14H,5-6H2,1-4H3
InChIKeyWGAZZZFUFBYPRG-UHFFFAOYSA-N
XLogP0.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 103790427) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is Cc1c(CNC2CC(=O)N(C(C)C)C2=O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is WGAZZZFUFBYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)17-12(18)5-11(13(17)19)14-6-10-7-15-16(4)9(10)3/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 103790427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).