N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide

C8H8N6O3 — CID 55027887

IUPACN-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ncc[nH]1
InChIInChI=1S/C8H8N6O3/c15-7(11-8-9-2-3-10-8)5-13-4-1-6(12-13)14(16)17/h1-4H,5H2,(H2,9,10,11,15)
InChIKeyACNJEXSPMOQXOA-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.15
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide

N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 55027887) has the molecular formula C8H8N6O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID55027887
Molecular FormulaC8H8N6O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC NameN-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1ncc[nH]1
InChIInChI=1S/C8H8N6O3/c15-7(11-8-9-2-3-10-8)5-13-4-1-6(12-13)14(16)17/h1-4H,5H2,(H2,9,10,11,15)
InChIKeyACNJEXSPMOQXOA-UHFFFAOYSA-N
XLogP0.15
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.15
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-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide (CID 55027887) is N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is ACNJEXSPMOQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O3/c15-7(11-8-9-2-3-10-8)5-13-4-1-6(12-13)14(16)17/h1-4H,5H2,(H2,9,10,11,15).
What are the key properties of N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 236.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 55027887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).