(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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Related Compounds

(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485
(2E,5E)-2,5-bis[(1-methylpyrazol-4-yl)methylidene]cyclopentan-1-one
CID 6211073
(3Z)-5-chloro-3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one
CID 17404110
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(5E)-3-(4-methylphenyl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 6209307
3-(1,3-dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 53396067
5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
CID 4532937
(5E)-5-[(6-methoxy-3-pyridinyl)methylidene]imidazolidine-2,4-dione
CID 122186473
(3E)-3-[(1-methylpyrazol-4-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468993
5-[(1-methylpyrazol-4-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91302383
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)imidazolidine-2,4-dione
CID 4298348

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).