1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone

C11H12N4O2 — CID 850507

IUPAC1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
SMILESCOc1cc(-n2ncc(C(C)=O)c2C)ncn1
InChIInChI=1S/C11H12N4O2/c1-7-9(8(2)16)5-14-15(7)10-4-11(17-3)13-6-12-10/h4-6H,1-3H3
InChIKeyRYYPFEOLZUWPMH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds3

About 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone

1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone (PubChem CID 850507) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
PubChem CID850507
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
SMILESCOc1cc(-n2ncc(C(C)=O)c2C)ncn1
InChIInChI=1S/C11H12N4O2/c1-7-9(8(2)16)5-14-15(7)10-4-11(17-3)13-6-12-10/h4-6H,1-3H3
InChIKeyRYYPFEOLZUWPMH-UHFFFAOYSA-N
XLogP1.18
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone (CID 850507) is 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone is COc1cc(-n2ncc(C(C)=O)c2C)ncn1.
What is the InChIKey of 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
The InChIKey is RYYPFEOLZUWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-9(8(2)16)5-14-15(7)10-4-11(17-3)13-6-12-10/h4-6H,1-3H3.
What are the key properties of 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 850507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).