1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine

C13H16N6O2 — CID 22199411

IUPAC1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESO=[N+]([O-])c1cnn(CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C13H16N6O2/c20-19(21)12-9-15-18(10-12)11-16-5-7-17(8-6-16)13-3-1-2-4-14-13/h1-4,9-10H,5-8,11H2
InChIKeyKZILXPYCFKGVQP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.97
Rot. Bonds4

About 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 22199411) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID22199411
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESO=[N+]([O-])c1cnn(CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C13H16N6O2/c20-19(21)12-9-15-18(10-12)11-16-5-7-17(8-6-16)13-3-1-2-4-14-13/h1-4,9-10H,5-8,11H2
InChIKeyKZILXPYCFKGVQP-UHFFFAOYSA-N
XLogP0.97
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-[2-(4-nitropyrazol-1-yl)ethyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 71865880
1-[(3-chlorophenyl)methyl]-4-[(4-nitropyrazol-1-yl)methyl]piperazine
CID 22195281
1-(2-nitrophenyl)-4-[2-(4-nitropyrazol-1-yl)ethyl]piperazine
CID 56807209
1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 791316
2-(4-nitrophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 4969248
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 4903897
N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 100573733
2-cyclohexyl-1-[4-[(4-nitropyrazol-1-yl)methyl]piperazin-1-yl]ethanone
CID 56822843
2-cyclopropyl-5-[4-[(4-nitropyrazol-1-yl)methyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47027864
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine (CID 22199411) is 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine is O=[N+]([O-])c1cnn(CN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is KZILXPYCFKGVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-19(21)12-9-15-18(10-12)11-16-5-7-17(8-6-16)13-3-1-2-4-14-13/h1-4,9-10H,5-8,11H2.
What are the key properties of 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 288.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 22199411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).