(5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione

C9H9N3O2 — CID 157139472

IUPAC(5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione
SMILESCn1nccc1/C=C1/NC(=O)CC1=O
InChIInChI=1S/C9H9N3O2/c1-12-6(2-3-10-12)4-7-8(13)5-9(14)11-7/h2-4H,5H2,1H3,(H,11,14)/b7-4+
InChIKeyGBXCYUIIDOIECJ-QPJJXVBHSA-N
MW191.19 g/mol
LogP-0.15
Rot. Bonds1

About (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione

(5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione (PubChem CID 157139472) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione
PubChem CID157139472
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione
SMILESCn1nccc1/C=C1/NC(=O)CC1=O
InChIInChI=1S/C9H9N3O2/c1-12-6(2-3-10-12)4-7-8(13)5-9(14)11-7/h2-4H,5H2,1H3,(H,11,14)/b7-4+
InChIKeyGBXCYUIIDOIECJ-QPJJXVBHSA-N
XLogP-0.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione (CID 157139472) is (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione is Cn1nccc1/C=C1/NC(=O)CC1=O.
What is the InChIKey of (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is GBXCYUIIDOIECJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12-6(2-3-10-12)4-7-8(13)5-9(14)11-7/h2-4H,5H2,1H3,(H,11,14)/b7-4+.
What are the key properties of (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione?
(5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methylpyrazol-3-yl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 157139472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).