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

C19H21Cl2N5 — CID 120768945

IUPAC2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C19H20ClN5.ClH/c20-17-6-2-1-5-16(17)19-12-22-8-9-25(19)13-15-10-18(24-23-15)14-4-3-7-21-11-14;/h1-7,10-11,19,22H,8-9,12-13H2,(H,23,24);1H
InChIKeyWOJHZFKPZBOWJD-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.69
Rot. Bonds4

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

2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (PubChem CID 120768945) has the molecular formula C19H21Cl2N5 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
PubChem CID120768945
Molecular FormulaC19H21Cl2N5
Molecular Weight390.32 g/mol
Exact Mass389.12
IUPAC Name2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C19H20ClN5.ClH/c20-17-6-2-1-5-16(17)19-12-22-8-9-25(19)13-15-10-18(24-23-15)14-4-3-7-21-11-14;/h1-7,10-11,19,22H,8-9,12-13H2,(H,23,24);1H
InChIKeyWOJHZFKPZBOWJD-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

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Related Compounds

2-(3-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120780238
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
2-(1-methylimidazol-2-yl)-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120912333
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781
2,5-dimethyl-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120906422
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
CID 120768801
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride (CID 120768945) is 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is Cl.Clc1ccccc1C1CNCCN1Cc1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
The InChIKey is WOJHZFKPZBOWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5.ClH/c20-17-6-2-1-5-16(17)19-12-22-8-9-25(19)13-15-10-18(24-23-15)14-4-3-7-21-11-14;/h1-7,10-11,19,22H,8-9,12-13H2,(H,23,24);1H.
What are the key properties of 2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride?
2-(2-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-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120768945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).