2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride

C15H19Cl2N5O2 — CID 120770850

IUPAC2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccn(CCN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN5O2.ClH/c16-13-3-1-2-12(10-13)14-11-17-5-7-19(14)8-9-20-6-4-15(18-20)21(22)23;/h1-4,6,10,14,17H,5,7-9,11H2;1H
InChIKeyQTKBQRJWQQIKGX-UHFFFAOYSA-N
MW372.26 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride (PubChem CID 120770850) has the molecular formula C15H19Cl2N5O2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride
PubChem CID120770850
Molecular FormulaC15H19Cl2N5O2
Molecular Weight372.26 g/mol
Exact Mass371.09
IUPAC Name2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccn(CCN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN5O2.ClH/c16-13-3-1-2-12(10-13)14-11-17-5-7-19(14)8-9-20-6-4-15(18-20)21(22)23;/h1-4,6,10,14,17H,5,7-9,11H2;1H
InChIKeyQTKBQRJWQQIKGX-UHFFFAOYSA-N
XLogP2.51
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
CID 120770851
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
CID 120737642
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120770707
2-(3-chlorophenyl)-1-[(4-methoxy-3-nitrophenyl)methyl]piperazine
CID 120771010
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
CID 120771011
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride (CID 120770850) is 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride is Cl.O=[N+]([O-])c1ccn(CCN2CCNCC2c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride?
The InChIKey is QTKBQRJWQQIKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2.ClH/c16-13-3-1-2-12(10-13)14-11-17-5-7-19(14)8-9-20-6-4-15(18-20)21(22)23;/h1-4,6,10,14,17H,5,7-9,11H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride has a molecular weight of 372.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 120770850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).