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

C14H15N3OS — CID 171945592

IUPACpyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCC(C1)S2
InChIInChI=1S/C14H15N3OS/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
InChIKeyGGIGXSKUVOEGDS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.59
Rot. Bonds2

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

pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171945592) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171945592
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Namepyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2ccnn2c1)C1CC2CCC(C1)S2
InChIInChI=1S/C14H15N3OS/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
InChIKeyGGIGXSKUVOEGDS-UHFFFAOYSA-N
XLogP2.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 134597016
2-Butyl-1-pyrazolo[1,5-a]pyrimidin-3-ylhexan-1-one
CID 154612475
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941707
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941713
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941714
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941715
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941722
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941723
(9,9-Dioxo-9lambda6-thiabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941724
Imidazo[1,2-b]pyridazin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945567
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

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171945592) is pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnc2ccnn2c1)C1CC2CCC(C1)S2.
What is the InChIKey of pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is GGIGXSKUVOEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/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 pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone?
pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidin-6-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171945592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).