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

C13H10BrN3O — CID 627570

IUPAC2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1
InChIInChI=1S/C13H10BrN3O/c1-8-5-13(18)17-12(15-8)7-11(16-17)9-3-2-4-10(14)6-9/h2-7,16H,1H3
InChIKeyFNKXTGWMRUUENL-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.76
Rot. Bonds1

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

2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 627570) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID627570
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1
InChIInChI=1S/C13H10BrN3O/c1-8-5-13(18)17-12(15-8)7-11(16-17)9-3-2-4-10(14)6-9/h2-7,16H,1H3
InChIKeyFNKXTGWMRUUENL-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 627570) is 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1.
What is the InChIKey of 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FNKXTGWMRUUENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-8-5-13(18)17-12(15-8)7-11(16-17)9-3-2-4-10(14)6-9/h2-7,16H,1H3.
What are the key properties of 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 304.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).