1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

C12H15N3O — CID 21341314

IUPAC1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1c(C)nn2c(C)c(C)c(C)nc12
InChIInChI=1S/C12H15N3O/c1-6-7(2)13-12-11(10(5)16)8(3)14-15(12)9(6)4/h1-5H3
InChIKeyGABLNQQTRGONGD-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.17
Rot. Bonds1

About 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 21341314) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID21341314
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1c(C)nn2c(C)c(C)c(C)nc12
InChIInChI=1S/C12H15N3O/c1-6-7(2)13-12-11(10(5)16)8(3)14-15(12)9(6)4/h1-5H3
InChIKeyGABLNQQTRGONGD-UHFFFAOYSA-N
XLogP2.17
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 21341314) is 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(=O)c1c(C)nn2c(C)c(C)c(C)nc12.
What is the InChIKey of 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is GABLNQQTRGONGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-6-7(2)13-12-11(10(5)16)8(3)14-15(12)9(6)4/h1-5H3.
What are the key properties of 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 21341314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).