4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile

C20H13N5 — CID 11529890

IUPAC4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C20H13N5/c21-12-14-4-6-15(7-5-14)19-11-16(8-10-23-19)17-13-24-25-20(17)18-3-1-2-9-22-18/h1-11,13H,(H,24,25)
InChIKeyXLPVMIMUZDJMFZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.07
Rot. Bonds3

About 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile

4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile (PubChem CID 11529890) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile
PubChem CID11529890
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1
InChIInChI=1S/C20H13N5/c21-12-14-4-6-15(7-5-14)19-11-16(8-10-23-19)17-13-24-25-20(17)18-3-1-2-9-22-18/h1-11,13H,(H,24,25)
InChIKeyXLPVMIMUZDJMFZ-UHFFFAOYSA-N
XLogP4.07
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile (CID 11529890) is 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-c3cn[nH]c3-c3ccccn3)ccn2)cc1.
What is the InChIKey of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile?
The InChIKey is XLPVMIMUZDJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c21-12-14-4-6-15(7-5-14)19-11-16(8-10-23-19)17-13-24-25-20(17)18-3-1-2-9-22-18/h1-11,13H,(H,24,25).
What are the key properties of 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile?
4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile has a molecular weight of 323.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 11529890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).