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

C11H17N3O — CID 82395612

IUPAC3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC1Cc2[nH]nc(C3CCOCC3)c2CN1
InChIInChI=1S/C11H17N3O/c1-4-12-7-9-10(1)13-14-11(9)8-2-5-15-6-3-8/h8,12H,1-7H2,(H,13,14)
InChIKeyVWDVYBIPAWUWMN-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds1

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

3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 82395612) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID82395612
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC1Cc2[nH]nc(C3CCOCC3)c2CN1
InChIInChI=1S/C11H17N3O/c1-4-12-7-9-10(1)13-14-11(9)8-2-5-15-6-3-8/h8,12H,1-7H2,(H,13,14)
InChIKeyVWDVYBIPAWUWMN-UHFFFAOYSA-N
XLogP0.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 82395612) is 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is C1Cc2[nH]nc(C3CCOCC3)c2CN1.
What is the InChIKey of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is VWDVYBIPAWUWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-12-7-9-10(1)13-14-11(9)8-2-5-15-6-3-8/h8,12H,1-7H2,(H,13,14).
What are the key properties of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82395612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).