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

C8H10ClFN4O2 — CID 118280696

IUPAC1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine
SMILESO=[N+]([O-])c1cnn(N2CCCC(F)C2)c1Cl
InChIInChI=1S/C8H10ClFN4O2/c9-8-7(14(15)16)4-11-13(8)12-3-1-2-6(10)5-12/h4,6H,1-3,5H2
InChIKeyNBIHAFRHZJASTQ-UHFFFAOYSA-N
MW248.64 g/mol
LogP1.51
Rot. Bonds2

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

1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine (PubChem CID 118280696) has the molecular formula C8H10ClFN4O2 and a molecular weight of 248.64 g/mol. Its IUPAC name is 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine
PubChem CID118280696
Molecular FormulaC8H10ClFN4O2
Molecular Weight248.64 g/mol
Exact Mass248.05
IUPAC Name1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine
SMILESO=[N+]([O-])c1cnn(N2CCCC(F)C2)c1Cl
InChIInChI=1S/C8H10ClFN4O2/c9-8-7(14(15)16)4-11-13(8)12-3-1-2-6(10)5-12/h4,6H,1-3,5H2
InChIKeyNBIHAFRHZJASTQ-UHFFFAOYSA-N
XLogP1.51
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 51.51
H-Bond Donors ≤ 50
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 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine?
The IUPAC name of 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine (CID 118280696) is 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine.
What is the SMILES notation for 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine?
The canonical SMILES for 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine is O=[N+]([O-])c1cnn(N2CCCC(F)C2)c1Cl.
What is the InChIKey of 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine?
The InChIKey is NBIHAFRHZJASTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN4O2/c9-8-7(14(15)16)4-11-13(8)12-3-1-2-6(10)5-12/h4,6H,1-3,5H2.
What are the key properties of 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine?
1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine has a molecular weight of 248.64 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-nitropyrazol-1-yl)-3-fluoropiperidine is sourced from PubChem (CID 118280696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).