2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

C22H20N4 — CID 11717091

IUPAC2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCC(C)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26)
InChIKeyVMRIQAPFNJVYQI-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.32
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine

2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 11717091) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
PubChem CID11717091
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
SMILESCC(C)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26)
InChIKeyVMRIQAPFNJVYQI-UHFFFAOYSA-N
XLogP5.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine (CID 11717091) is 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is CC(C)c1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is VMRIQAPFNJVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-15(2)16-6-8-17(9-7-16)21-13-18(10-12-24-21)19-14-25-26-22(19)20-5-3-4-11-23-20/h3-15H,1-2H3,(H,25,26).
What are the key properties of 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine?
2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 340.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 11717091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).