4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile

C24H15N3 — CID 122383196

IUPAC4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C24H15N3/c25-15-17-10-12-18(13-11-17)22-16-26-27-23(19-6-2-1-3-7-19)14-20-8-4-5-9-21(20)24(22)27/h1-14,16H
InChIKeyXMNPOOIFVJECTB-UHFFFAOYSA-N
MW345.41 g/mol
LogP5.69
Rot. Bonds2

About 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile

4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile (PubChem CID 122383196) has the molecular formula C24H15N3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile
PubChem CID122383196
Molecular FormulaC24H15N3
Molecular Weight345.41 g/mol
Exact Mass345.13
IUPAC Name4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile
SMILESN#Cc1ccc(-c2cnn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C24H15N3/c25-15-17-10-12-18(13-11-17)22-16-26-27-23(19-6-2-1-3-7-19)14-20-8-4-5-9-21(20)24(22)27/h1-14,16H
InChIKeyXMNPOOIFVJECTB-UHFFFAOYSA-N
XLogP5.69
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
CID 102433500
4-phenanthren-9-ylbenzonitrile
CID 89027020
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146653715
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
4-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142488020
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
4-anthracen-1-ylbenzonitrile
CID 151714314
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
4-[4-[6-[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]benzonitrile
CID 176632587

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile?
The IUPAC name of 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile (CID 122383196) is 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile is N#Cc1ccc(-c2cnn3c(-c4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile?
The InChIKey is XMNPOOIFVJECTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3/c25-15-17-10-12-18(13-11-17)22-16-26-27-23(19-6-2-1-3-7-19)14-20-8-4-5-9-21(20)24(22)27/h1-14,16H.
What are the key properties of 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile?
4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile has a molecular weight of 345.41 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile is sourced from PubChem (CID 122383196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).