3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H11BrN4O2 — CID 166643236

IUPAC3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(N2CCOCC2)nc2c(Br)c[nH]n12
InChIInChI=1S/C10H11BrN4O2/c11-7-6-12-15-9(16)5-8(13-10(7)15)14-1-3-17-4-2-14/h5-6,12H,1-4H2
InChIKeyPGQKNEZINZWXOD-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.62
Rot. Bonds1

About 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166643236) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID166643236
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(N2CCOCC2)nc2c(Br)c[nH]n12
InChIInChI=1S/C10H11BrN4O2/c11-7-6-12-15-9(16)5-8(13-10(7)15)14-1-3-17-4-2-14/h5-6,12H,1-4H2
InChIKeyPGQKNEZINZWXOD-UHFFFAOYSA-N
XLogP0.62
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 166643236) is 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(N2CCOCC2)nc2c(Br)c[nH]n12.
What is the InChIKey of 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PGQKNEZINZWXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c11-7-6-12-15-9(16)5-8(13-10(7)15)14-1-3-17-4-2-14/h5-6,12H,1-4H2.
What are the key properties of 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 299.13 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166643236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).