5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C11H14N4O2 — CID 169035121

IUPAC5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1COCCN1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C11H14N4O2/c1-8-7-17-5-4-14(8)10-6-11(16)15-9(13-10)2-3-12-15/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyPWSMDCBMAQVHAQ-MRVPVSSYSA-N
MW234.26 g/mol
LogP0.25
Rot. Bonds1

About 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 169035121) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID169035121
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1COCCN1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C11H14N4O2/c1-8-7-17-5-4-14(8)10-6-11(16)15-9(13-10)2-3-12-15/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyPWSMDCBMAQVHAQ-MRVPVSSYSA-N
XLogP0.25
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 169035121) is 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is C[C@@H]1COCCN1c1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PWSMDCBMAQVHAQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-7-17-5-4-14(8)10-6-11(16)15-9(13-10)2-3-12-15/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.26 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 169035121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).