5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

C9H12N4O2 — CID 71757084

IUPAC5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCCC1(c2cnn(C)c2)NC(=O)NC1=O
InChIInChI=1S/C9H12N4O2/c1-3-9(6-4-10-13(2)5-6)7(14)11-8(15)12-9/h4-5H,3H2,1-2H3,(H2,11,12,14,15)
InChIKeyXZWDQLCTJDVGQV-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.14
Rot. Bonds2

About 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 71757084) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID71757084
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCCC1(c2cnn(C)c2)NC(=O)NC1=O
InChIInChI=1S/C9H12N4O2/c1-3-9(6-4-10-13(2)5-6)7(14)11-8(15)12-9/h4-5H,3H2,1-2H3,(H2,11,12,14,15)
InChIKeyXZWDQLCTJDVGQV-UHFFFAOYSA-N
XLogP-0.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 71757084) is 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is CCC1(c2cnn(C)c2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is XZWDQLCTJDVGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-3-9(6-4-10-13(2)5-6)7(14)11-8(15)12-9/h4-5H,3H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 71757084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).