2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C11H16N4O4 — CID 2981942

IUPAC2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H16N4O4/c1-8(14-7-9(5-13-14)15(17)18)11(16)12-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,12,16)
InChIKeyCLPFGJUEERUWJN-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.65
Rot. Bonds5

About 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide

2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2981942) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2981942
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H16N4O4/c1-8(14-7-9(5-13-14)15(17)18)11(16)12-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,12,16)
InChIKeyCLPFGJUEERUWJN-UHFFFAOYSA-N
XLogP0.65
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-N-(oxolan-2-ylmethyl)propanamide 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)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 2981942) is 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is CLPFGJUEERUWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-8(14-7-9(5-13-14)15(17)18)11(16)12-6-10-3-2-4-19-10/h5,7-8,10H,2-4,6H2,1H3,(H,12,16).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 268.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2981942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).