[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium

C14H26N3O+ — CID 70239367

IUPAC[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
SMILESCc1nn2c(c1C(O)CC[N+](C)(C)C)CCCC2
InChIInChI=1S/C14H26N3O/c1-11-14(13(18)8-10-17(2,3)4)12-7-5-6-9-16(12)15-11/h13,18H,5-10H2,1-4H3/q+1
InChIKeyWVGNNNHHDWTHNF-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.66
Rot. Bonds4

About [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium

[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium (PubChem CID 70239367) has the molecular formula C14H26N3O+ and a molecular weight of 252.38 g/mol. Its IUPAC name is [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium.

Molecular Properties

Compound Name[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
PubChem CID70239367
Molecular FormulaC14H26N3O+
Molecular Weight252.38 g/mol
Exact Mass252.21
IUPAC Name[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
SMILESCc1nn2c(c1C(O)CC[N+](C)(C)C)CCCC2
InChIInChI=1S/C14H26N3O/c1-11-14(13(18)8-10-17(2,3)4)12-7-5-6-9-16(12)15-11/h13,18H,5-10H2,1-4H3/q+1
InChIKeyWVGNNNHHDWTHNF-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.66
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-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium
CID 70236354
2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 170442026
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 90898270
2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 83821484
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
CID 177339311
benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 134370026
(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)methanol
CID 155019625
methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 75176163
3-bromo-2-(chloromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 68790004
ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 68793305
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073558
iodo-[(3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy]phosphane
CID 155019652

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
The IUPAC name of [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium (CID 70239367) is [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium.
What is the SMILES notation for [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
The canonical SMILES for [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium is Cc1nn2c(c1C(O)CC[N+](C)(C)C)CCCC2.
What is the InChIKey of [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
The InChIKey is WVGNNNHHDWTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3O/c1-11-14(13(18)8-10-17(2,3)4)12-7-5-6-9-16(12)15-11/h13,18H,5-10H2,1-4H3/q+1.
What are the key properties of [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium?
[3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium has a molecular weight of 252.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propyl]-trimethylazanium is sourced from PubChem (CID 70239367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).