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

C20H16N4 — CID 11716589

IUPAC2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H16N4/c1-14-5-4-6-16(11-14)19-12-15(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24)
InChIKeyHMNGAGOWDHFPFL-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.51
Rot. Bonds3

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

2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 11716589) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID11716589
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H16N4/c1-14-5-4-6-16(11-14)19-12-15(8-10-22-19)17-13-23-24-20(17)18-7-2-3-9-21-18/h2-13H,1H3,(H,23,24)
InChIKeyHMNGAGOWDHFPFL-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 11716589) is 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is Cc1cccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is HMNGAGOWDHFPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-14-5-4-6-16(11-14)19-12-15(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-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 312.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 11716589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).