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

C15H18ClN5O2 — CID 120770851

IUPAC2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
SMILESO=[N+]([O-])c1ccn(CCN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN5O2/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
InChIKeyVBYJLQDOSMKLMY-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.09
Rot. Bonds5

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

2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine (PubChem CID 120770851) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
PubChem CID120770851
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine
SMILESO=[N+]([O-])c1ccn(CCN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN5O2/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
InChIKeyVBYJLQDOSMKLMY-UHFFFAOYSA-N
XLogP2.09
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.09
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;hydrochloride
CID 120770850
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
CID 120737642
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120771105
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
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
CID 120771011

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine (CID 120770851) is 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine is O=[N+]([O-])c1ccn(CCN2CCNCC2c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine?
The InChIKey is VBYJLQDOSMKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/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.
What are the key properties of 2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine?
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine has a molecular weight of 335.80 g/mol, XLogP of 2.09, 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 is sourced from PubChem (CID 120770851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).