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

C13H24N3O+ — CID 70236354

IUPAC[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
SMILESC[N+](C)(C)CCC(O)c1cnn2c1CCCC2
InChIInChI=1S/C13H24N3O/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/q+1
InChIKeyPLFAZOYYZMJBLH-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.35
Rot. Bonds4

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

[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium (PubChem CID 70236354) has the molecular formula C13H24N3O+ and a molecular weight of 238.35 g/mol. Its IUPAC name is [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium.

Molecular Properties

Compound Name[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
PubChem CID70236354
Molecular FormulaC13H24N3O+
Molecular Weight238.35 g/mol
Exact Mass238.19
IUPAC Name[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
SMILESC[N+](C)(C)CCC(O)c1cnn2c1CCCC2
InChIInChI=1S/C13H24N3O/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/q+1
InChIKeyPLFAZOYYZMJBLH-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
CID 70239367
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)butanoic acid
CID 83883806
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
CID 66764821
3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 14145814
ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 145221540
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-thiol
CID 142909383
3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 163670178
ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 142324749
1-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindole;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 161492193
2-methyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 120525619
2-(methylamino)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanol
CID 82606341
N-[(2R,4S)-4-hydroxy-4-thiophen-2-ylbutan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 124574775

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?
The IUPAC name of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium (CID 70236354) is [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium.
What is the SMILES notation for [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
The canonical SMILES for [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium is C[N+](C)(C)CCC(O)c1cnn2c1CCCC2.
What is the InChIKey of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
The InChIKey is PLFAZOYYZMJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N3O/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/q+1.
What are the key properties of [3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
[3-hydroxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium has a molecular weight of 238.35 g/mol, XLogP of 1.35, 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 is sourced from PubChem (CID 70236354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).