5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C14H23N3O2 — CID 45241866

IUPAC5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1n[nH]c2c1CN(CCOCC1CCCCO1)CC2
InChIInChI=1S/C14H23N3O2/c1-2-7-19-13(3-1)11-18-8-6-17-5-4-14-12(10-17)9-15-16-14/h9,13H,1-8,10-11H2,(H,15,16)
InChIKeyHEISXRPNRWRCBJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.35
Rot. Bonds5

About 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 45241866) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID45241866
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1n[nH]c2c1CN(CCOCC1CCCCO1)CC2
InChIInChI=1S/C14H23N3O2/c1-2-7-19-13(3-1)11-18-8-6-17-5-4-14-12(10-17)9-15-16-14/h9,13H,1-8,10-11H2,(H,15,16)
InChIKeyHEISXRPNRWRCBJ-UHFFFAOYSA-N
XLogP1.35
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 45241866) is 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is c1n[nH]c2c1CN(CCOCC1CCCCO1)CC2.
What is the InChIKey of 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is HEISXRPNRWRCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-19-13(3-1)11-18-8-6-17-5-4-14-12(10-17)9-15-16-14/h9,13H,1-8,10-11H2,(H,15,16).
What are the key properties of 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?
5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 265.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-2-ylmethoxy)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 45241866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).