2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one

C11H16N4O3 — CID 4773533

IUPAC2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H16N4O3/c1-9(11(16)13-5-3-2-4-6-13)14-8-10(7-12-14)15(17)18/h7-9H,2-6H2,1H3
InChIKeyYFEGEPZGZFHFOA-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.36
Rot. Bonds3

About 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one

2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 4773533) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID4773533
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H16N4O3/c1-9(11(16)13-5-3-2-4-6-13)14-8-10(7-12-14)15(17)18/h7-9H,2-6H2,1H3
InChIKeyYFEGEPZGZFHFOA-UHFFFAOYSA-N
XLogP1.36
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.36
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'}

Analyze 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one (CID 4773533) is 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is YFEGEPZGZFHFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-9(11(16)13-5-3-2-4-6-13)14-8-10(7-12-14)15(17)18/h7-9H,2-6H2,1H3.
What are the key properties of 2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
2-(4-nitropyrazol-1-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 252.27 g/mol, XLogP of 1.36, 3 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)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 4773533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).