3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C13H10BrN3O — CID 721643

IUPAC3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(-c2ccccc2)nc2c(Br)c(=O)[nH]n12
InChIInChI=1S/C13H10BrN3O/c1-8-7-10(9-5-3-2-4-6-9)15-12-11(14)13(18)16-17(8)12/h2-7H,1H3,(H,16,18)
InChIKeyQPEZDIGJFPQFOH-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.76
Rot. Bonds1

About 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 721643) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID721643
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(-c2ccccc2)nc2c(Br)c(=O)[nH]n12
InChIInChI=1S/C13H10BrN3O/c1-8-7-10(9-5-3-2-4-6-9)15-12-11(14)13(18)16-17(8)12/h2-7H,1H3,(H,16,18)
InChIKeyQPEZDIGJFPQFOH-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 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 721643) is 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1cc(-c2ccccc2)nc2c(Br)c(=O)[nH]n12.
What is the InChIKey of 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is QPEZDIGJFPQFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-8-7-10(9-5-3-2-4-6-9)15-12-11(14)13(18)16-17(8)12/h2-7H,1H3,(H,16,18).
What are the key properties of 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?
3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-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 3-bromo-7-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 721643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).