[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide

C13H24IN3O — CID 70236353

IUPAC[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide
SMILESC[N+](C)(C)CCC(O)c1cnn2c1CCCC2.[I-]
InChIInChI=1S/C13H24N3O.HI/c1-16(2,3)9-7-13(17)11-10-14-15-8-5-4-6-12(11)15;/h10,13,17H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyFQQYDIFBCSGXJZ-UHFFFAOYSA-M
MW365.26 g/mol
LogP-1.65
Rot. Bonds4

About [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide

[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide (PubChem CID 70236353) has the molecular formula C13H24IN3O and a molecular weight of 365.26 g/mol. Its IUPAC name is [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide
PubChem CID70236353
Molecular FormulaC13H24IN3O
Molecular Weight365.26 g/mol
Exact Mass365.10
IUPAC Name[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide
SMILESC[N+](C)(C)CCC(O)c1cnn2c1CCCC2.[I-]
InChIInChI=1S/C13H24N3O.HI/c1-16(2,3)9-7-13(17)11-10-14-15-8-5-4-6-12(11)15;/h10,13,17H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyFQQYDIFBCSGXJZ-UHFFFAOYSA-M
XLogP-1.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide?
The IUPAC name of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide (CID 70236353) is [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide.
What is the SMILES notation for [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide?
The canonical SMILES for [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide is C[N+](C)(C)CCC(O)c1cnn2c1CCCC2.[I-].
What is the InChIKey of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide?
The InChIKey is FQQYDIFBCSGXJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N3O.HI/c1-16(2,3)9-7-13(17)11-10-14-15-8-5-4-6-12(11)15;/h10,13,17H,4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide?
[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide has a molecular weight of 365.26 g/mol, XLogP of -1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium iodide is sourced from PubChem (CID 70236353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).