4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine

C17H17N7O — CID 102346065

IUPAC4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine
SMILESc1cnn(C(COCc2ccncc2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C17H17N7O/c1-6-19-22(11-1)17(23-12-2-7-20-23,24-13-3-8-21-24)15-25-14-16-4-9-18-10-5-16/h1-13H,14-15H2
InChIKeyVEFLLCNXAUCODT-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.59
Rot. Bonds7

About 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine

4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine (PubChem CID 102346065) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine.

Molecular Properties

Compound Name4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine
PubChem CID102346065
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine
SMILESc1cnn(C(COCc2ccncc2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C17H17N7O/c1-6-19-22(11-1)17(23-12-2-7-20-23,24-13-3-8-21-24)15-25-14-16-4-9-18-10-5-16/h1-13H,14-15H2
InChIKeyVEFLLCNXAUCODT-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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Frequently Asked Questions

What is the IUPAC name of 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
The IUPAC name of 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine (CID 102346065) is 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine.
What is the SMILES notation for 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
The canonical SMILES for 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine is c1cnn(C(COCc2ccncc2)(n2cccn2)n2cccn2)c1.
What is the InChIKey of 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
The InChIKey is VEFLLCNXAUCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-6-19-22(11-1)17(23-12-2-7-20-23,24-13-3-8-21-24)15-25-14-16-4-9-18-10-5-16/h1-13H,14-15H2.
What are the key properties of 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine?
4-[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 4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]pyridine is sourced from PubChem (CID 102346065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).