2-(4-nitropyrazol-1-yl)cyclopentan-1-one

C8H9N3O3 — CID 155821694

IUPAC2-(4-nitropyrazol-1-yl)cyclopentan-1-one
SMILESO=C1CCCC1n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C8H9N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7H,1-3H2
InChIKeyHBCDXYNRHAKPDR-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-nitropyrazol-1-yl)cyclopentan-1-one

2-(4-nitropyrazol-1-yl)cyclopentan-1-one (PubChem CID 155821694) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)cyclopentan-1-one
PubChem CID155821694
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-(4-nitropyrazol-1-yl)cyclopentan-1-one
SMILESO=C1CCCC1n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C8H9N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7H,1-3H2
InChIKeyHBCDXYNRHAKPDR-UHFFFAOYSA-N
XLogP1.09
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.09
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 2-(4-nitropyrazol-1-yl)cyclopentan-1-one?
The IUPAC name of 2-(4-nitropyrazol-1-yl)cyclopentan-1-one (CID 155821694) is 2-(4-nitropyrazol-1-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)cyclopentan-1-one?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)cyclopentan-1-one is O=C1CCCC1n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)cyclopentan-1-one?
The InChIKey is HBCDXYNRHAKPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7H,1-3H2.
What are the key properties of 2-(4-nitropyrazol-1-yl)cyclopentan-1-one?
2-(4-nitropyrazol-1-yl)cyclopentan-1-one has a molecular weight of 195.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)cyclopentan-1-one is sourced from PubChem (CID 155821694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).