3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione

C9H12N4O2 — CID 103857952

IUPAC3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1cnn(CCN2C(=O)CNC2=O)c1
InChIInChI=1S/C9H12N4O2/c1-7-4-11-12(6-7)2-3-13-8(14)5-10-9(13)15/h4,6H,2-3,5H2,1H3,(H,10,15)
InChIKeyDJBJZDPLZPQGGN-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.26
Rot. Bonds3

About 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione

3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 103857952) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID103857952
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCc1cnn(CCN2C(=O)CNC2=O)c1
InChIInChI=1S/C9H12N4O2/c1-7-4-11-12(6-7)2-3-13-8(14)5-10-9(13)15/h4,6H,2-3,5H2,1H3,(H,10,15)
InChIKeyDJBJZDPLZPQGGN-UHFFFAOYSA-N
XLogP-0.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
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 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione (CID 103857952) is 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione is Cc1cnn(CCN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is DJBJZDPLZPQGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-7-4-11-12(6-7)2-3-13-8(14)5-10-9(13)15/h4,6H,2-3,5H2,1H3,(H,10,15).
What are the key properties of 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpyrazol-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103857952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).