2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide

C13H14N4O3 — CID 3091795

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H14N4O3/c1-9-7-10(2)16(15-9)8-13(18)14-11-3-5-12(6-4-11)17(19)20/h3-7H,8H2,1-2H3,(H,14,18)
InChIKeyFGUCZYFQZQRFRH-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.05
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 3091795) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID3091795
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H14N4O3/c1-9-7-10(2)16(15-9)8-13(18)14-11-3-5-12(6-4-11)17(19)20/h3-7H,8H2,1-2H3,(H,14,18)
InChIKeyFGUCZYFQZQRFRH-UHFFFAOYSA-N
XLogP2.05
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide 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-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide (CID 3091795) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is FGUCZYFQZQRFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-7-10(2)16(15-9)8-13(18)14-11-3-5-12(6-4-11)17(19)20/h3-7H,8H2,1-2H3,(H,14,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 3091795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).