2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile

C22H15FN4 — CID 67106113

IUPAC2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H15FN4/c23-20-7-5-17(6-8-20)22-21(16-9-11-25-12-10-16)15-27(26-22)14-19-4-2-1-3-18(19)13-24/h1-12,15H,14H2
InChIKeyWOAYBTOEUAUVKR-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.67
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile

2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile (PubChem CID 67106113) has the molecular formula C22H15FN4 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile
PubChem CID67106113
Molecular FormulaC22H15FN4
Molecular Weight354.39 g/mol
Exact Mass354.13
IUPAC Name2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H15FN4/c23-20-7-5-17(6-8-20)22-21(16-9-11-25-12-10-16)15-27(26-22)14-19-4-2-1-3-18(19)13-24/h1-12,15H,14H2
InChIKeyWOAYBTOEUAUVKR-UHFFFAOYSA-N
XLogP4.67
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile (CID 67106113) is 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile?
The InChIKey is WOAYBTOEUAUVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4/c23-20-7-5-17(6-8-20)22-21(16-9-11-25-12-10-16)15-27(26-22)14-19-4-2-1-3-18(19)13-24/h1-12,15H,14H2.
What are the key properties of 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile?
2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile has a molecular weight of 354.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 67106113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).