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

C15H12BrN3O — CID 761949

IUPAC1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2cc(-c3cccc(Br)c3)nn2c1C
InChIInChI=1S/C15H12BrN3O/c1-9-13(10(2)20)8-17-15-7-14(18-19(9)15)11-4-3-5-12(16)6-11/h3-8H,1-2H3
InChIKeyOJALNVBLTBTIIM-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.67
Rot. Bonds2

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

1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 761949) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID761949
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2cc(-c3cccc(Br)c3)nn2c1C
InChIInChI=1S/C15H12BrN3O/c1-9-13(10(2)20)8-17-15-7-14(18-19(9)15)11-4-3-5-12(16)6-11/h3-8H,1-2H3
InChIKeyOJALNVBLTBTIIM-UHFFFAOYSA-N
XLogP3.67
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 761949) is 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1cnc2cc(-c3cccc(Br)c3)nn2c1C.
What is the InChIKey of 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is OJALNVBLTBTIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-13(10(2)20)8-17-15-7-14(18-19(9)15)11-4-3-5-12(16)6-11/h3-8H,1-2H3.
What are the key properties of 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 330.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 761949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).