2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine

C17H17N7O — CID 102040658

IUPAC2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine
SMILESc1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)nc1
InChIInChI=1S/C17H17N7O/c1-2-7-18-16(6-1)14-25-15-17(22-11-3-8-19-22,23-12-4-9-20-23)24-13-5-10-21-24/h1-13H,14-15H2
InChIKeyDHKLMLQSDPDLBV-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.59
Rot. Bonds7

About 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine

2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine (PubChem CID 102040658) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine.

Molecular Properties

Compound Name2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine
PubChem CID102040658
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine
SMILESc1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)nc1
InChIInChI=1S/C17H17N7O/c1-2-7-18-16(6-1)14-25-15-17(22-11-3-8-19-22,23-12-4-9-20-23)24-13-5-10-21-24/h1-13H,14-15H2
InChIKeyDHKLMLQSDPDLBV-UHFFFAOYSA-N
XLogP1.59
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-Dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine
CID 101387274
4-[2,2,2-Tri(pyrazol-1-yl)ethoxymethyl]pyridine
CID 102346065
2-(2-Pyrrolidin-1-ylethoxymethyl)pyrazolo[1,5-a]pyridine
CID 71711718
4-[5-[4-(3-Ethylpyrazol-1-yl)oxan-2-yl]pyrazol-1-yl]pyridine
CID 141154262
2-(Ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)
CID 160611359
2-(Methoxymethyl)-6-pyrazol-1-ylpyridine
CID 169574585
Ethane;3-(methoxymethyl)-1-methylpyrazole;2-(methoxymethyl)pyridine
CID 170583029
cobalt(2+);4-[[2-(4H-pyrazol-1-ium-1-yl)-2,2-di(pyrazol-1-yl)ethoxy]methyl]pyridine;dichloride;hydroxide
CID 71477661
4-[[2-(4H-pyrazol-1-ium-1-yl)-2,2-di(pyrazol-1-yl)ethoxy]methyl]pyridine
CID 71477662
(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381896
(7S)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381897
(5R,9S)-7-methyl-2-[(1-methylpyrazol-4-yl)methyl]-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97483387

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
The IUPAC name of 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine (CID 102040658) is 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine.
What is the SMILES notation for 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
The canonical SMILES for 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine is c1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)nc1.
What is the InChIKey of 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
The InChIKey is DHKLMLQSDPDLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-2-7-18-16(6-1)14-25-15-17(22-11-3-8-19-22,23-12-4-9-20-23)24-13-5-10-21-24/h1-13H,14-15H2.
What are the key properties of 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine has a molecular weight of 335.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine is sourced from PubChem (CID 102040658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).