1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one

C8H10BrN5O3 — CID 61192497

IUPAC1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C8H10BrN5O3/c9-6-5-13(11-7(6)14(16)17)4-3-12-2-1-10-8(12)15/h5H,1-4H2,(H,10,15)
InChIKeyYDGICWAVDOWJQE-UHFFFAOYSA-N
MW304.10 g/mol
LogP0.58
Rot. Bonds4

About 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one

1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one (PubChem CID 61192497) has the molecular formula C8H10BrN5O3 and a molecular weight of 304.10 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one
PubChem CID61192497
Molecular FormulaC8H10BrN5O3
Molecular Weight304.10 g/mol
Exact Mass303.00
IUPAC Name1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C8H10BrN5O3/c9-6-5-13(11-7(6)14(16)17)4-3-12-2-1-10-8(12)15/h5H,1-4H2,(H,10,15)
InChIKeyYDGICWAVDOWJQE-UHFFFAOYSA-N
XLogP0.58
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one (CID 61192497) is 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one is O=C1NCCN1CCn1cc(Br)c([N+](=O)[O-])n1.
What is the InChIKey of 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is YDGICWAVDOWJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5O3/c9-6-5-13(11-7(6)14(16)17)4-3-12-2-1-10-8(12)15/h5H,1-4H2,(H,10,15).
What are the key properties of 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one?
1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 304.10 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 61192497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).