2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile

C20H16ClN3 — CID 22366014

IUPAC2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile
SMILESN#CC(Cc1ccc(Cl)cc1)(Cc1cnccn1)c1ccccc1
InChIInChI=1S/C20H16ClN3/c21-18-8-6-16(7-9-18)12-20(15-22,17-4-2-1-3-5-17)13-19-14-23-10-11-24-19/h1-11,14H,12-13H2
InChIKeyLNPCCKXWNVTAJI-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.38
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile

2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile (PubChem CID 22366014) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile
PubChem CID22366014
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile
SMILESN#CC(Cc1ccc(Cl)cc1)(Cc1cnccn1)c1ccccc1
InChIInChI=1S/C20H16ClN3/c21-18-8-6-16(7-9-18)12-20(15-22,17-4-2-1-3-5-17)13-19-14-23-10-11-24-19/h1-11,14H,12-13H2
InChIKeyLNPCCKXWNVTAJI-UHFFFAOYSA-N
XLogP4.38
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile (CID 22366014) is 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile is N#CC(Cc1ccc(Cl)cc1)(Cc1cnccn1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile?
The InChIKey is LNPCCKXWNVTAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c21-18-8-6-16(7-9-18)12-20(15-22,17-4-2-1-3-5-17)13-19-14-23-10-11-24-19/h1-11,14H,12-13H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile?
2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile has a molecular weight of 333.82 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-2-phenyl-3-pyrazin-2-ylpropanenitrile is sourced from PubChem (CID 22366014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).