1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione

C14H20N4O2 — CID 82882121

IUPAC1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
SMILESCn1ccc(CNC2CC(=O)N(C3CCCC3)C2=O)n1
InChIInChI=1S/C14H20N4O2/c1-17-7-6-10(16-17)9-15-12-8-13(19)18(14(12)20)11-4-2-3-5-11/h6-7,11-12,15H,2-5,8-9H2,1H3
InChIKeyIAVCTFLOISMSGC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.58
Rot. Bonds4

About 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione

1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 82882121) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID82882121
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
SMILESCn1ccc(CNC2CC(=O)N(C3CCCC3)C2=O)n1
InChIInChI=1S/C14H20N4O2/c1-17-7-6-10(16-17)9-15-12-8-13(19)18(14(12)20)11-4-2-3-5-11/h6-7,11-12,15H,2-5,8-9H2,1H3
InChIKeyIAVCTFLOISMSGC-UHFFFAOYSA-N
XLogP0.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 63302271
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070
1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione
CID 54885174
1-cyclopropyl-3-[(5-methylpyrazin-2-yl)methylamino]pyrrolidine-2,5-dione
CID 55122137
1-cyclopropyl-3-[(2-methylpyrimidin-4-yl)methylamino]pyrrolidine-2,5-dione
CID 54901837
3-[(1-methylpyrazol-3-yl)methylamino]oxolan-2-one
CID 131107562
1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43636591
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895
1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
CID 65244105
1-cycloheptyl-3-(2,2-dimethylpropylamino)pyrrolidine-2,5-dione
CID 61166039
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43637482

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione (CID 82882121) is 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione is Cn1ccc(CNC2CC(=O)N(C3CCCC3)C2=O)n1.
What is the InChIKey of 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is IAVCTFLOISMSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-7-6-10(16-17)9-15-12-8-13(19)18(14(12)20)11-4-2-3-5-11/h6-7,11-12,15H,2-5,8-9H2,1H3.
What are the key properties of 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione?
1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 82882121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).