2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H14BrN3O — CID 694716

IUPAC2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(-c3cccc(Br)c3)[nH]n2c1=O
InChIInChI=1S/C15H14BrN3O/c1-3-12-9(2)17-14-8-13(18-19(14)15(12)20)10-5-4-6-11(16)7-10/h4-8,18H,3H2,1-2H3
InChIKeyQFWAKHHZIQIDIF-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.32
Rot. Bonds2

About 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 694716) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID694716
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(-c3cccc(Br)c3)[nH]n2c1=O
InChIInChI=1S/C15H14BrN3O/c1-3-12-9(2)17-14-8-13(18-19(14)15(12)20)10-5-4-6-11(16)7-10/h4-8,18H,3H2,1-2H3
InChIKeyQFWAKHHZIQIDIF-UHFFFAOYSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 694716) is 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(-c3cccc(Br)c3)[nH]n2c1=O.
What is the InChIKey of 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QFWAKHHZIQIDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-3-12-9(2)17-14-8-13(18-19(14)15(12)20)10-5-4-6-11(16)7-10/h4-8,18H,3H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.20 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 694716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).