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

C11H17N3O — CID 118493335

IUPAC3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCCc1n[nH]c2c1CCN(C1COC1)C2
InChIInChI=1S/C11H17N3O/c1-2-10-9-3-4-14(8-6-15-7-8)5-11(9)13-12-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyAFMNHNRYFOFLOL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds2

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

3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 118493335) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID118493335
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCCc1n[nH]c2c1CCN(C1COC1)C2
InChIInChI=1S/C11H17N3O/c1-2-10-9-3-4-14(8-6-15-7-8)5-11(9)13-12-10/h8H,2-7H2,1H3,(H,12,13)
InChIKeyAFMNHNRYFOFLOL-UHFFFAOYSA-N
XLogP0.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 118493335) is 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CCc1n[nH]c2c1CCN(C1COC1)C2.
What is the InChIKey of 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is AFMNHNRYFOFLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-10-9-3-4-14(8-6-15-7-8)5-11(9)13-12-10/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 207.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(oxetan-3-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118493335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).