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

C8H9N3O2 — CID 2808726

IUPAC1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione
SMILESCn1nccc1N1C(=O)CCC1=O
InChIInChI=1S/C8H9N3O2/c1-10-6(4-5-9-10)11-7(12)2-3-8(11)13/h4-5H,2-3H2,1H3
InChIKeyDEDSDOPEKXNROK-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.07
Rot. Bonds1

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

1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione (PubChem CID 2808726) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione
PubChem CID2808726
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione
SMILESCn1nccc1N1C(=O)CCC1=O
InChIInChI=1S/C8H9N3O2/c1-10-6(4-5-9-10)11-7(12)2-3-8(11)13/h4-5H,2-3H2,1H3
InChIKeyDEDSDOPEKXNROK-UHFFFAOYSA-N
XLogP0.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.07
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 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione (CID 2808726) is 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione is Cn1nccc1N1C(=O)CCC1=O.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is DEDSDOPEKXNROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-10-6(4-5-9-10)11-7(12)2-3-8(11)13/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione?
1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 179.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2808726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).