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

C11H13N5O3 — CID 47289780

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-7-5-8(14-13-7)12-9(17)6-16-4-3-10(18)15(2)11(16)19/h3-5H,6H2,1-2H3,(H2,12,13,14,17)
InChIKeyPJIQNZPYASZPEQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.78
Rot. Bonds3

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

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 47289780) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID47289780
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)n[nH]1
InChIInChI=1S/C11H13N5O3/c1-7-5-8(14-13-7)12-9(17)6-16-4-3-10(18)15(2)11(16)19/h3-5H,6H2,1-2H3,(H2,12,13,14,17)
InChIKeyPJIQNZPYASZPEQ-UHFFFAOYSA-N
XLogP-0.78
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.78
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-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 47289780) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ccc(=O)n(C)c2=O)n[nH]1.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is PJIQNZPYASZPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-5-8(14-13-7)12-9(17)6-16-4-3-10(18)15(2)11(16)19/h3-5H,6H2,1-2H3,(H2,12,13,14,17).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 263.26 g/mol, XLogP of -0.78, 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-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 47289780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).