N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide

C13H13N5O4 — CID 1257225

IUPACN-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1
InChIInChI=1S/C13H13N5O4/c1-9(19)14-10-2-4-11(5-3-10)15-13(20)8-17-7-6-12(16-17)18(21)22/h2-7H,8H2,1H3,(H,14,19)(H,15,20)
InChIKeyFLYPPPCAUBFRPF-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.39
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 1257225) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID1257225
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC NameN-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1
InChIInChI=1S/C13H13N5O4/c1-9(19)14-10-2-4-11(5-3-10)15-13(20)8-17-7-6-12(16-17)18(21)22/h2-7H,8H2,1H3,(H,14,19)(H,15,20)
InChIKeyFLYPPPCAUBFRPF-UHFFFAOYSA-N
XLogP1.39
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.39
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-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 1257225) is N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is FLYPPPCAUBFRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c1-9(19)14-10-2-4-11(5-3-10)15-13(20)8-17-7-6-12(16-17)18(21)22/h2-7H,8H2,1H3,(H,14,19)(H,15,20).
What are the key properties of N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.39, 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-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1257225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).