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

C11H15N5O3 — CID 54896918

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)NCc2cn[nH]c2)C1=O
InChIInChI=1S/C11H15N5O3/c1-11(2)9(18)16(10(19)15-11)6-8(17)12-3-7-4-13-14-5-7/h4-5H,3,6H2,1-2H3,(H,12,17)(H,13,14)(H,15,19)
InChIKeyIAQDSWCTSZHUFO-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.64
Rot. Bonds4

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

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 54896918) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID54896918
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)NCc2cn[nH]c2)C1=O
InChIInChI=1S/C11H15N5O3/c1-11(2)9(18)16(10(19)15-11)6-8(17)12-3-7-4-13-14-5-7/h4-5H,3,6H2,1-2H3,(H,12,17)(H,13,14)(H,15,19)
InChIKeyIAQDSWCTSZHUFO-UHFFFAOYSA-N
XLogP-0.64
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.64
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 54896918) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is CC1(C)NC(=O)N(CC(=O)NCc2cn[nH]c2)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is IAQDSWCTSZHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-11(2)9(18)16(10(19)15-11)6-8(17)12-3-7-4-13-14-5-7/h4-5H,3,6H2,1-2H3,(H,12,17)(H,13,14)(H,15,19).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 54896918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).