2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide

C11H11N5O3 — CID 578137

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccn1
InChIInChI=1S/C11H11N5O3/c1-8-6-10(16(18)19)14-15(8)7-11(17)13-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,12,13,17)
InChIKeyCZEHKIUGPXTYIO-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.13
Rot. Bonds4

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide (PubChem CID 578137) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
PubChem CID578137
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccn1
InChIInChI=1S/C11H11N5O3/c1-8-6-10(16(18)19)14-15(8)7-11(17)13-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,12,13,17)
InChIKeyCZEHKIUGPXTYIO-UHFFFAOYSA-N
XLogP1.13
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.13
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-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide 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-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide (CID 578137) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccn1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
The InChIKey is CZEHKIUGPXTYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-8-6-10(16(18)19)14-15(8)7-11(17)13-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,12,13,17).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide has a molecular weight of 261.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 578137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).