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

C10H14N4O2 — CID 106104437

IUPAC3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCn1ccc(CCNC2CC(=O)NC2=O)n1
InChIInChI=1S/C10H14N4O2/c1-14-5-3-7(13-14)2-4-11-8-6-9(15)12-10(8)16/h3,5,8,11H,2,4,6H2,1H3,(H,12,15,16)
InChIKeyIJXVHPNFQBYHQP-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.03
Rot. Bonds4

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

3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 106104437) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID106104437
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCn1ccc(CCNC2CC(=O)NC2=O)n1
InChIInChI=1S/C10H14N4O2/c1-14-5-3-7(13-14)2-4-11-8-6-9(15)12-10(8)16/h3,5,8,11H,2,4,6H2,1H3,(H,12,15,16)
InChIKeyIJXVHPNFQBYHQP-UHFFFAOYSA-N
XLogP-1.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
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-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione (CID 106104437) is 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione is Cn1ccc(CCNC2CC(=O)NC2=O)n1.
What is the InChIKey of 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is IJXVHPNFQBYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-5-3-7(13-14)2-4-11-8-6-9(15)12-10(8)16/h3,5,8,11H,2,4,6H2,1H3,(H,12,15,16).
What are the key properties of 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione?
3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 222.25 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 106104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).