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

C10H11N5O3 — CID 38016635

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2cn[nH]c2)c1=O
InChIInChI=1S/C10H11N5O3/c1-14-9(17)2-3-15(10(14)18)6-8(16)13-7-4-11-12-5-7/h2-5H,6H2,1H3,(H,11,12)(H,13,16)
InChIKeySTLCDZNJYQZEEV-UHFFFAOYSA-N
MW249.23 g/mol
LogP-1.09
Rot. Bonds3

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

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 38016635) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID38016635
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2cn[nH]c2)c1=O
InChIInChI=1S/C10H11N5O3/c1-14-9(17)2-3-15(10(14)18)6-8(16)13-7-4-11-12-5-7/h2-5H,6H2,1H3,(H,11,12)(H,13,16)
InChIKeySTLCDZNJYQZEEV-UHFFFAOYSA-N
XLogP-1.09
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide (CID 38016635) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide is Cn1c(=O)ccn(CC(=O)Nc2cn[nH]c2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is STLCDZNJYQZEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-14-9(17)2-3-15(10(14)18)6-8(16)13-7-4-11-12-5-7/h2-5H,6H2,1H3,(H,11,12)(H,13,16).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 249.23 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 38016635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).