2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C20H16N4O — CID 11558948

IUPAC2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCOc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H16N4O/c1-25-16-6-4-5-15(11-16)19-12-14(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24)
InChIKeyMETZMOSXHVEBIA-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.21
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 11558948) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID11558948
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCOc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H16N4O/c1-25-16-6-4-5-15(11-16)19-12-14(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24)
InChIKeyMETZMOSXHVEBIA-UHFFFAOYSA-N
XLogP4.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 11558948) is 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is COc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is METZMOSXHVEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-25-16-6-4-5-15(11-16)19-12-14(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24).
What are the key properties of 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 328.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 11558948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).