1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C16H15N3O2 — CID 754768

IUPAC1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCOc1ccc(-c2cc3ncc(C(C)=O)c(C)n3n2)cc1
InChIInChI=1S/C16H15N3O2/c1-10-14(11(2)20)9-17-16-8-15(18-19(10)16)12-4-6-13(21-3)7-5-12/h4-9H,1-3H3
InChIKeyDGLHXKJKYYLYMA-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.92
Rot. Bonds3

About 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 754768) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID754768
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCOc1ccc(-c2cc3ncc(C(C)=O)c(C)n3n2)cc1
InChIInChI=1S/C16H15N3O2/c1-10-14(11(2)20)9-17-16-8-15(18-19(10)16)12-4-6-13(21-3)7-5-12/h4-9H,1-3H3
InChIKeyDGLHXKJKYYLYMA-UHFFFAOYSA-N
XLogP2.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 754768) is 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is COc1ccc(-c2cc3ncc(C(C)=O)c(C)n3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is DGLHXKJKYYLYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-14(11(2)20)9-17-16-8-15(18-19(10)16)12-4-6-13(21-3)7-5-12/h4-9H,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 281.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 754768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).