1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine

C15H18N6O4 — CID 56807209

IUPAC1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine
SMILESO=[N+]([O-])c1cnn(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C15H18N6O4/c22-20(23)13-11-16-19(12-13)10-7-17-5-8-18(9-6-17)14-3-1-2-4-15(14)21(24)25/h1-4,11-12H,5-10H2
InChIKeyXCAPGOPDRHMAOB-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine

1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine (PubChem CID 56807209) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine
PubChem CID56807209
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine
SMILESO=[N+]([O-])c1cnn(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1
InChIInChI=1S/C15H18N6O4/c22-20(23)13-11-16-19(12-13)10-7-17-5-8-18(9-6-17)14-3-1-2-4-15(14)21(24)25/h1-4,11-12H,5-10H2
InChIKeyXCAPGOPDRHMAOB-UHFFFAOYSA-N
XLogP1.52
TPSA110.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine 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

1-[2-(4-nitropyrazol-1-yl)ethyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 71865880
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine
CID 22199411
N-[2-(azepan-1-yl)phenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60574074
2-[4-(2-nitrophenyl)piperazin-1-yl]acetonitrile
CID 16656297
4-(1-methylpyrazol-4-yl)-1-(2-nitrophenyl)piperidine
CID 133279989
1-[3-[4-(2-nitrophenyl)piperazin-1-yl]propyl]-3-phenylurea
CID 2967030
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446904
4-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethoxy]benzonitrile
CID 27206774
[3-methyl-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 120771644

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine (CID 56807209) is 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine is O=[N+]([O-])c1cnn(CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1.
What is the InChIKey of 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine?
The InChIKey is XCAPGOPDRHMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4/c22-20(23)13-11-16-19(12-13)10-7-17-5-8-18(9-6-17)14-3-1-2-4-15(14)21(24)25/h1-4,11-12H,5-10H2.
What are the key properties of 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine?
1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine has a molecular weight of 346.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 56807209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).