3-(5-chloro-4-nitropyrazol-1-yl)piperidine

C8H11ClN4O2 — CID 146481316

IUPAC3-(5-chloro-4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCCNC2)c1Cl
InChIInChI=1S/C8H11ClN4O2/c9-8-7(13(14)15)5-11-12(8)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyARJKGBYTAOLFLL-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.37
Rot. Bonds2

About 3-(5-chloro-4-nitropyrazol-1-yl)piperidine

3-(5-chloro-4-nitropyrazol-1-yl)piperidine (PubChem CID 146481316) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.65 g/mol. Its IUPAC name is 3-(5-chloro-4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name3-(5-chloro-4-nitropyrazol-1-yl)piperidine
PubChem CID146481316
Molecular FormulaC8H11ClN4O2
Molecular Weight230.65 g/mol
Exact Mass230.06
IUPAC Name3-(5-chloro-4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCCNC2)c1Cl
InChIInChI=1S/C8H11ClN4O2/c9-8-7(13(14)15)5-11-12(8)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyARJKGBYTAOLFLL-UHFFFAOYSA-N
XLogP1.37
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 3-(5-chloro-4-nitropyrazol-1-yl)piperidine (CID 146481316) is 3-(5-chloro-4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 3-(5-chloro-4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 3-(5-chloro-4-nitropyrazol-1-yl)piperidine is O=[N+]([O-])c1cnn(C2CCCNC2)c1Cl.
What is the InChIKey of 3-(5-chloro-4-nitropyrazol-1-yl)piperidine?
The InChIKey is ARJKGBYTAOLFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c9-8-7(13(14)15)5-11-12(8)6-2-1-3-10-4-6/h5-6,10H,1-4H2.
What are the key properties of 3-(5-chloro-4-nitropyrazol-1-yl)piperidine?
3-(5-chloro-4-nitropyrazol-1-yl)piperidine has a molecular weight of 230.65 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 146481316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).