1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone

C12H14N4O3 — CID 850509

IUPAC1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone
SMILESCOc1cc(OC)nc(-n2ncc(C(C)=O)c2C)n1
InChIInChI=1S/C12H14N4O3/c1-7-9(8(2)17)6-13-16(7)12-14-10(18-3)5-11(15-12)19-4/h5-6H,1-4H3
InChIKeyKFADONKXYDXMKT-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.19
Rot. Bonds4

About 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone

1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone (PubChem CID 850509) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone
PubChem CID850509
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone
SMILESCOc1cc(OC)nc(-n2ncc(C(C)=O)c2C)n1
InChIInChI=1S/C12H14N4O3/c1-7-9(8(2)17)6-13-16(7)12-14-10(18-3)5-11(15-12)19-4/h5-6H,1-4H3
InChIKeyKFADONKXYDXMKT-UHFFFAOYSA-N
XLogP1.19
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone (CID 850509) is 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone is COc1cc(OC)nc(-n2ncc(C(C)=O)c2C)n1.
What is the InChIKey of 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone?
The InChIKey is KFADONKXYDXMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-9(8(2)17)6-13-16(7)12-14-10(18-3)5-11(15-12)19-4/h5-6H,1-4H3.
What are the key properties of 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone?
1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone has a molecular weight of 262.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxypyrimidin-2-yl)-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).