N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

C16H19N5O4 — CID 2981181

IUPACN-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2nc(C)c([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C16H19N5O4/c1-9-15(21(24)25)10(2)20(19-9)11(3)16(23)18-14-7-5-13(6-8-14)17-12(4)22/h5-8,11H,1-4H3,(H,17,22)(H,18,23)
InChIKeyHONPLVHPTRXIOF-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.57
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 2981181) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
PubChem CID2981181
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)n2nc(C)c([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C16H19N5O4/c1-9-15(21(24)25)10(2)20(19-9)11(3)16(23)18-14-7-5-13(6-8-14)17-12(4)22/h5-8,11H,1-4H3,(H,17,22)(H,18,23)
InChIKeyHONPLVHPTRXIOF-UHFFFAOYSA-N
XLogP2.57
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide (CID 2981181) is N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)n2nc(C)c([N+](=O)[O-])c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is HONPLVHPTRXIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-9-15(21(24)25)10(2)20(19-9)11(3)16(23)18-14-7-5-13(6-8-14)17-12(4)22/h5-8,11H,1-4H3,(H,17,22)(H,18,23).
What are the key properties of N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide?
N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 345.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 2981181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).