2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C21H17ClN4O — CID 11625025

IUPAC2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESClCCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C21H17ClN4O/c22-9-12-27-17-6-4-15(5-7-17)20-13-16(8-11-24-20)18-14-25-26-21(18)19-3-1-2-10-23-19/h1-8,10-11,13-14H,9,12H2,(H,25,26)
InChIKeyWMUUAGPFJLNYBE-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 11625025) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID11625025
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESClCCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C21H17ClN4O/c22-9-12-27-17-6-4-15(5-7-17)20-13-16(8-11-24-20)18-14-25-26-21(18)19-3-1-2-10-23-19/h1-8,10-11,13-14H,9,12H2,(H,25,26)
InChIKeyWMUUAGPFJLNYBE-UHFFFAOYSA-N
XLogP4.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 11625025) is 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is ClCCOc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is WMUUAGPFJLNYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-9-12-27-17-6-4-15(5-7-17)20-13-16(8-11-24-20)18-14-25-26-21(18)19-3-1-2-10-23-19/h1-8,10-11,13-14H,9,12H2,(H,25,26).
What are the key properties of 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 376.85 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 11625025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).