3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one

C16H17ClN4O2 — CID 86788537

IUPAC3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CCn2cccn2)C1c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-13-5-2-1-4-12(13)15-16(23)18-8-11-21(15)14(22)6-10-20-9-3-7-19-20/h1-5,7,9,15H,6,8,10-11H2,(H,18,23)
InChIKeyWPZZBOJRYVDHRW-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.63
Rot. Bonds4

About 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one

3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one (PubChem CID 86788537) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
PubChem CID86788537
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CCn2cccn2)C1c1ccccc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-13-5-2-1-4-12(13)15-16(23)18-8-11-21(15)14(22)6-10-20-9-3-7-19-20/h1-5,7,9,15H,6,8,10-11H2,(H,18,23)
InChIKeyWPZZBOJRYVDHRW-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one 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 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one (CID 86788537) is 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one is O=C1NCCN(C(=O)CCn2cccn2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
The InChIKey is WPZZBOJRYVDHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-13-5-2-1-4-12(13)15-16(23)18-8-11-21(15)14(22)6-10-20-9-3-7-19-20/h1-5,7,9,15H,6,8,10-11H2,(H,18,23).
What are the key properties of 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one has a molecular weight of 332.79 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 86788537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).