2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C10H11N5O3 — CID 63199167

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C10H11N5O3/c1-6-4-7(14-13-6)11-9(17)5-15-3-2-8(16)12-10(15)18/h2-4H,5H2,1H3,(H,12,16,18)(H2,11,13,14,17)
InChIKeyARNRKTZEFNPMCJ-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.79
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 63199167) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID63199167
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n[nH]1
InChIInChI=1S/C10H11N5O3/c1-6-4-7(14-13-6)11-9(17)5-15-3-2-8(16)12-10(15)18/h2-4H,5H2,1H3,(H,12,16,18)(H2,11,13,14,17)
InChIKeyARNRKTZEFNPMCJ-UHFFFAOYSA-N
XLogP-0.79
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 63199167) is 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ccc(=O)[nH]c2=O)n[nH]1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is ARNRKTZEFNPMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-6-4-7(14-13-6)11-9(17)5-15-3-2-8(16)12-10(15)18/h2-4H,5H2,1H3,(H,12,16,18)(H2,11,13,14,17).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 249.23 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 63199167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).