1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

C19H23ClN4 — CID 166396791

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESClc1cccc(-c2[nH]ncc2CN2CCN(C34CC(C3)C4)CC2)c1
InChIInChI=1S/C19H23ClN4/c20-17-3-1-2-15(8-17)18-16(12-21-22-18)13-23-4-6-24(7-5-23)19-9-14(10-19)11-19/h1-3,8,12,14H,4-7,9-11,13H2,(H,21,22)
InChIKeyABPQCRUUOBVOCS-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.40
Rot. Bonds4

About 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 166396791) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID166396791
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESClc1cccc(-c2[nH]ncc2CN2CCN(C34CC(C3)C4)CC2)c1
InChIInChI=1S/C19H23ClN4/c20-17-3-1-2-15(8-17)18-16(12-21-22-18)13-23-4-6-24(7-5-23)19-9-14(10-19)11-19/h1-3,8,12,14H,4-7,9-11,13H2,(H,21,22)
InChIKeyABPQCRUUOBVOCS-UHFFFAOYSA-N
XLogP3.40
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine 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 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 166396791) is 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is Clc1cccc(-c2[nH]ncc2CN2CCN(C34CC(C3)C4)CC2)c1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is ABPQCRUUOBVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c20-17-3-1-2-15(8-17)18-16(12-21-22-18)13-23-4-6-24(7-5-23)19-9-14(10-19)11-19/h1-3,8,12,14H,4-7,9-11,13H2,(H,21,22).
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 342.87 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 166396791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).