5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione

C9H11N5O5 — CID 154805233

IUPAC5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(CO)C(=O)N1CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N5O5/c15-5-7-8(16)13(9(17)11-7)2-1-12-4-6(3-10-12)14(18)19/h3-4,7,15H,1-2,5H2,(H,11,17)
InChIKeyOOXGBXZWOSBEER-UHFFFAOYSA-N
MW269.22 g/mol
LogP-1.30
Rot. Bonds5

About 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione

5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 154805233) has the molecular formula C9H11N5O5 and a molecular weight of 269.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID154805233
Molecular FormulaC9H11N5O5
Molecular Weight269.22 g/mol
Exact Mass269.08
IUPAC Name5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(CO)C(=O)N1CCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H11N5O5/c15-5-7-8(16)13(9(17)11-7)2-1-12-4-6(3-10-12)14(18)19/h3-4,7,15H,1-2,5H2,(H,11,17)
InChIKeyOOXGBXZWOSBEER-UHFFFAOYSA-N
XLogP-1.30
TPSA130.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 50999673
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[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
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methyl 3-(4-nitropyrazol-1-yl)propanoate
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(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
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CID 66928671
2-(4-aminopyrazol-1-yl)ethanol;4-nitro-1H-pyrazole;2-(4-nitropyrazol-1-yl)ethanol
CID 159607238

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione (CID 154805233) is 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione is O=C1NC(CO)C(=O)N1CCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is OOXGBXZWOSBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O5/c15-5-7-8(16)13(9(17)11-7)2-1-12-4-6(3-10-12)14(18)19/h3-4,7,15H,1-2,5H2,(H,11,17).
What are the key properties of 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione?
5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 269.22 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154805233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).