N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

C11H13N5O2 — CID 135752887

IUPACN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c1-6-5-10(18)14-11(12-6)16-9(13-8(3)17)4-7(2)15-16/h4-5H,1-3H3,(H,13,17)(H,12,14,18)
InChIKeyWDYDHTHZMUHJOT-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.53
Rot. Bonds2

About N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135752887) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135752887
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H13N5O2/c1-6-5-10(18)14-11(12-6)16-9(13-8(3)17)4-7(2)15-16/h4-5H,1-3H3,(H,13,17)(H,12,14,18)
InChIKeyWDYDHTHZMUHJOT-UHFFFAOYSA-N
XLogP0.53
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135752887) is N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is WDYDHTHZMUHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-5-10(18)14-11(12-6)16-9(13-8(3)17)4-7(2)15-16/h4-5H,1-3H3,(H,13,17)(H,12,14,18).
What are the key properties of N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135752887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).