3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol

C14H17N3O2 — CID 171955921

IUPAC3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCc1cc2ncc(C3(O)CC4CCC(C3)O4)cn2n1
InChIInChI=1S/C14H17N3O2/c1-9-4-13-15-7-10(8-17(13)16-9)14(18)5-11-2-3-12(6-14)19-11/h4,7-8,11-12,18H,2-3,5-6H2,1H3
InChIKeyDXAKEKNWZDWIOW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.57
Rot. Bonds1

About 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171955921) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171955921
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCc1cc2ncc(C3(O)CC4CCC(C3)O4)cn2n1
InChIInChI=1S/C14H17N3O2/c1-9-4-13-15-7-10(8-17(13)16-9)14(18)5-11-2-3-12(6-14)19-11/h4,7-8,11-12,18H,2-3,5-6H2,1H3
InChIKeyDXAKEKNWZDWIOW-UHFFFAOYSA-N
XLogP1.57
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171955921) is 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol is Cc1cc2ncc(C3(O)CC4CCC(C3)O4)cn2n1.
What is the InChIKey of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is DXAKEKNWZDWIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-13-15-7-10(8-17(13)16-9)14(18)5-11-2-3-12(6-14)19-11/h4,7-8,11-12,18H,2-3,5-6H2,1H3.
What are the key properties of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 259.31 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).