5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione

C9H12N4O2 — CID 103571674

IUPAC5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCCCn1cc(C2NC(=O)NC2=O)cn1
InChIInChI=1S/C9H12N4O2/c1-2-3-13-5-6(4-10-13)7-8(14)12-9(15)11-7/h4-5,7H,2-3H2,1H3,(H2,11,12,14,15)
InChIKeyFDOQPAMIWCNKKQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.17
Rot. Bonds3

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

5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 103571674) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID103571674
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCCCn1cc(C2NC(=O)NC2=O)cn1
InChIInChI=1S/C9H12N4O2/c1-2-3-13-5-6(4-10-13)7-8(14)12-9(15)11-7/h4-5,7H,2-3H2,1H3,(H2,11,12,14,15)
InChIKeyFDOQPAMIWCNKKQ-UHFFFAOYSA-N
XLogP0.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-ethyl-7-(1-propylpyrazol-4-yl)azepan-2-one
CID 103573255
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
2-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 64908753
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575
4-(1-propylpyrazol-4-yl)azepane
CID 83261378
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 103573251
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 60693099
4-(5-methylpyrrolidin-3-yl)-1-propylpyrazole
CID 103573321

Frequently Asked Questions

What is the IUPAC name of 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione (CID 103571674) is 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione is CCCn1cc(C2NC(=O)NC2=O)cn1.
What is the InChIKey of 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is FDOQPAMIWCNKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-3-13-5-6(4-10-13)7-8(14)12-9(15)11-7/h4-5,7H,2-3H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione?
5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 103571674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).