8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone

C14H15N3O2 — CID 171945591

IUPAC8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCC(C1)O2
InChIInChI=1S/C14H15N3O2/c18-14(9-5-11-1-2-12(6-9)19-11)10-7-15-13-3-4-16-17(13)8-10/h3-4,7-9,11-12H,1-2,5-6H2
InChIKeyFFTRWUJNPRHBOD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.87
Rot. Bonds2

About 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone

8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 171945591) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID171945591
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCC(C1)O2
InChIInChI=1S/C14H15N3O2/c18-14(9-5-11-1-2-12(6-9)19-11)10-7-15-13-3-4-16-17(13)8-10/h3-4,7-9,11-12H,1-2,5-6H2
InChIKeyFFTRWUJNPRHBOD-UHFFFAOYSA-N
XLogP1.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
CID 154612475
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171941712
8-Azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171945585
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
CID 171945586
Tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945587
Pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945592
(8-Oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
CID 171945593
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
CID 171945594
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrazolo[1,5-a]pyrimidin-6-ylmethanone
CID 171945605
8-Azabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 171945610
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 171945611
Tert-butyl 3-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945612

Frequently Asked Questions

What is the IUPAC name of 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 171945591) is 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone is O=C(c1cnc2ccnn2c1)C1CC2CCC(C1)O2.
What is the InChIKey of 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is FFTRWUJNPRHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(9-5-11-1-2-12(6-9)19-11)10-7-15-13-3-4-16-17(13)8-10/h3-4,7-9,11-12H,1-2,5-6H2.
What are the key properties of 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone?
8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxabicyclo[3.2.1]octan-3-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 171945591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).