2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

C9H11N5O3 — CID 54897454

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1cn[nH]c1
InChIInChI=1S/C9H11N5O3/c15-7(10-1-6-2-12-13-3-6)5-14-8(16)4-11-9(14)17/h2-3H,1,4-5H2,(H,10,15)(H,11,17)(H,12,13)
InChIKeyNOTYGXDKPJFGFE-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.42
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 54897454) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID54897454
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1cn[nH]c1
InChIInChI=1S/C9H11N5O3/c15-7(10-1-6-2-12-13-3-6)5-14-8(16)4-11-9(14)17/h2-3H,1,4-5H2,(H,10,15)(H,11,17)(H,12,13)
InChIKeyNOTYGXDKPJFGFE-UHFFFAOYSA-N
XLogP-1.42
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
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 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 54897454) is 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(CN1C(=O)CNC1=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is NOTYGXDKPJFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c15-7(10-1-6-2-12-13-3-6)5-14-8(16)4-11-9(14)17/h2-3H,1,4-5H2,(H,10,15)(H,11,17)(H,12,13).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 237.22 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 54897454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).