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

C12H19N3O — CID 134828426

IUPAC1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1nn(CC2CCOCC2)c2c1CNCC2
InChIInChI=1S/C12H19N3O/c1-4-13-7-11-8-14-15(12(1)11)9-10-2-5-16-6-3-10/h8,10,13H,1-7,9H2
InChIKeySACSSKPCGYDZGA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.96
Rot. Bonds2

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

1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 134828426) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID134828426
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1nn(CC2CCOCC2)c2c1CNCC2
InChIInChI=1S/C12H19N3O/c1-4-13-7-11-8-14-15(12(1)11)9-10-2-5-16-6-3-10/h8,10,13H,1-7,9H2
InChIKeySACSSKPCGYDZGA-UHFFFAOYSA-N
XLogP0.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 134828426) is 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is c1nn(CC2CCOCC2)c2c1CNCC2.
What is the InChIKey of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is SACSSKPCGYDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-13-7-11-8-14-15(12(1)11)9-10-2-5-16-6-3-10/h8,10,13H,1-7,9H2.
What are the key properties of 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 221.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 134828426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).