2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile

C21H17N5O2 — CID 70777780

IUPAC2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1=O
InChIInChI=1S/C21H17N5O2/c22-14-17-5-1-2-8-19(17)25-12-11-24(15-20(25)27)21(28)16-6-3-7-18(13-16)26-10-4-9-23-26/h1-10,13H,11-12,15H2
InChIKeyVMINKPDOGUIXPP-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile

2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile (PubChem CID 70777780) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile
PubChem CID70777780
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1=O
InChIInChI=1S/C21H17N5O2/c22-14-17-5-1-2-8-19(17)25-12-11-24(15-20(25)27)21(28)16-6-3-7-18(13-16)26-10-4-9-23-26/h1-10,13H,11-12,15H2
InChIKeyVMINKPDOGUIXPP-UHFFFAOYSA-N
XLogP2.23
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-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

2-[4-[3-(dimethylamino)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
CID 70777088
2-[2-oxo-4-(2-propylpentanoyl)piperazin-1-yl]benzonitrile
CID 70724790
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
2-[4-(2-hydroxy-4-methoxybenzoyl)-2-oxopiperazin-1-yl]benzonitrile
CID 70714476
2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile
CID 70721245
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
(3-pyrazol-1-ylphenyl)-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126853262
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one
CID 42248005

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile (CID 70777780) is 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile?
The InChIKey is VMINKPDOGUIXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-14-17-5-1-2-8-19(17)25-12-11-24(15-20(25)27)21(28)16-6-3-7-18(13-16)26-10-4-9-23-26/h1-10,13H,11-12,15H2.
What are the key properties of 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile?
2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile has a molecular weight of 371.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 70777780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).