2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride

C19H21Cl2N5 — CID 120780238

IUPAC2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2Cc2cc(-c3cccnc3)n[nH]2)c1
InChIInChI=1S/C19H20ClN5.ClH/c20-16-5-1-3-14(9-16)19-12-22-7-8-25(19)13-17-10-18(24-23-17)15-4-2-6-21-11-15;/h1-6,9-11,19,22H,7-8,12-13H2,(H,23,24);1H
InChIKeyRSKHWBUKNLPUQP-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (PubChem CID 120780238) has the molecular formula C19H21Cl2N5 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
PubChem CID120780238
Molecular FormulaC19H21Cl2N5
Molecular Weight390.32 g/mol
Exact Mass389.12
IUPAC Name2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(C2CNCCN2Cc2cc(-c3cccnc3)n[nH]2)c1
InChIInChI=1S/C19H20ClN5.ClH/c20-16-5-1-3-14(9-16)19-12-22-7-8-25(19)13-17-10-18(24-23-17)15-4-2-6-21-11-15;/h1-6,9-11,19,22H,7-8,12-13H2,(H,23,24);1H
InChIKeyRSKHWBUKNLPUQP-UHFFFAOYSA-N
XLogP3.69
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride 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-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120768945
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
1-[2-(3-chlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755613
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
1-[(5-chloro-2-nitrophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754286
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (CID 120780238) is 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is Cl.Clc1cccc(C2CNCCN2Cc2cc(-c3cccnc3)n[nH]2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The InChIKey is RSKHWBUKNLPUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5.ClH/c20-16-5-1-3-14(9-16)19-12-22-7-8-25(19)13-17-10-18(24-23-17)15-4-2-6-21-11-15;/h1-6,9-11,19,22H,7-8,12-13H2,(H,23,24);1H.
What are the key properties of 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride has a molecular weight of 390.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120780238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).