(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione

C9H12N4O2 — CID 71031479

IUPAC(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCC(C)n1cc([C@@H]2NC(=O)NC2=O)cn1
InChIInChI=1S/C9H12N4O2/c1-5(2)13-4-6(3-10-13)7-8(14)12-9(15)11-7/h3-5,7H,1-2H3,(H2,11,12,14,15)/t7-/m0/s1
InChIKeyXAAOLOYWGWFMCH-ZETCQYMHSA-N
MW208.22 g/mol
LogP0.34
Rot. Bonds2

About (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione

(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 71031479) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID71031479
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCC(C)n1cc([C@@H]2NC(=O)NC2=O)cn1
InChIInChI=1S/C9H12N4O2/c1-5(2)13-4-6(3-10-13)7-8(14)12-9(15)11-7/h3-5,7H,1-2H3,(H2,11,12,14,15)/t7-/m0/s1
InChIKeyXAAOLOYWGWFMCH-ZETCQYMHSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
1-[3-(1-Methylpyrazol-4-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018138
5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71756617
5-ethyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71757084
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 56752689
5-Methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
CID 71871843
N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 72911145
4-[1-(1-Propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 75515362
N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 86284757
N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione (CID 71031479) is (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione is CC(C)n1cc([C@@H]2NC(=O)NC2=O)cn1.
What is the InChIKey of (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is XAAOLOYWGWFMCH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5(2)13-4-6(3-10-13)7-8(14)12-9(15)11-7/h3-5,7H,1-2H3,(H2,11,12,14,15)/t7-/m0/s1.
What are the key properties of (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione?
(5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 208.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 71031479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).