(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione

C8H8N4O2 — CID 17024892

IUPAC(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
SMILESCn1cc(/C=C2/NC(=O)NC2=O)cn1
InChIInChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)2-6-7(13)11-8(14)10-6/h2-4H,1H3,(H2,10,11,13,14)/b6-2+
InChIKeySUKVKHHQAOVCIE-QHHAFSJGSA-N
MW192.18 g/mol
LogP-0.40
Rot. Bonds1

About (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 17024892) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
PubChem CID17024892
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
SMILESCn1cc(/C=C2/NC(=O)NC2=O)cn1
InChIInChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)2-6-7(13)11-8(14)10-6/h2-4H,1H3,(H2,10,11,13,14)/b6-2+
InChIKeySUKVKHHQAOVCIE-QHHAFSJGSA-N
XLogP-0.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione (CID 17024892) is (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione is Cn1cc(/C=C2/NC(=O)NC2=O)cn1.
What is the InChIKey of (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is SUKVKHHQAOVCIE-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)2-6-7(13)11-8(14)10-6/h2-4H,1H3,(H2,10,11,13,14)/b6-2+.
What are the key properties of (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 17024892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).