1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C11H17N3O — CID 105460739

IUPAC1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1nn(C2CCCOC2)c2c1CNCC2
InChIInChI=1S/C11H17N3O/c1-2-10(8-15-5-1)14-11-3-4-12-6-9(11)7-13-14/h7,10,12H,1-6,8H2
InChIKeyJRGGCAOEBOUZBI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.88
Rot. Bonds1

About 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 105460739) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID105460739
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1nn(C2CCCOC2)c2c1CNCC2
InChIInChI=1S/C11H17N3O/c1-2-10(8-15-5-1)14-11-3-4-12-6-9(11)7-13-14/h7,10,12H,1-6,8H2
InChIKeyJRGGCAOEBOUZBI-UHFFFAOYSA-N
XLogP0.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 105460739) is 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is c1nn(C2CCCOC2)c2c1CNCC2.
What is the InChIKey of 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is JRGGCAOEBOUZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-10(8-15-5-1)14-11-3-4-12-6-9(11)7-13-14/h7,10,12H,1-6,8H2.
What are the key properties of 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 105460739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).