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

C13H10FN3O2 — CID 66836872

IUPAC6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1Oc1cccc(F)c1
InChIInChI=1S/C13H10FN3O2/c1-8-12(19-10-4-2-3-9(14)7-10)13(18)17-11(16-8)5-6-15-17/h2-7,15H,1H3
InChIKeyDOBXUUKLDSIZOM-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.26
Rot. Bonds2

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

6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66836872) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66836872
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1Oc1cccc(F)c1
InChIInChI=1S/C13H10FN3O2/c1-8-12(19-10-4-2-3-9(14)7-10)13(18)17-11(16-8)5-6-15-17/h2-7,15H,1H3
InChIKeyDOBXUUKLDSIZOM-UHFFFAOYSA-N
XLogP2.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66836872) is 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1Oc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DOBXUUKLDSIZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c1-8-12(19-10-4-2-3-9(14)7-10)13(18)17-11(16-8)5-6-15-17/h2-7,15H,1H3.
What are the key properties of 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 259.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66836872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).