2-(3-nitropyrazol-1-yl)ethanamine

C5H8N4O2 — CID 19616674

IUPAC2-(3-nitropyrazol-1-yl)ethanamine
SMILESNCCn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C5H8N4O2/c6-2-4-8-3-1-5(7-8)9(10)11/h1,3H,2,4,6H2
InChIKeyZUIVDEOQMZTGIX-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.25
Rot. Bonds3

About 2-(3-nitropyrazol-1-yl)ethanamine

2-(3-nitropyrazol-1-yl)ethanamine (PubChem CID 19616674) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)ethanamine
PubChem CID19616674
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(3-nitropyrazol-1-yl)ethanamine
SMILESNCCn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C5H8N4O2/c6-2-4-8-3-1-5(7-8)9(10)11/h1,3H,2,4,6H2
InChIKeyZUIVDEOQMZTGIX-UHFFFAOYSA-N
XLogP-0.25
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitropyrazol-1-yl)ethanamine?
The IUPAC name of 2-(3-nitropyrazol-1-yl)ethanamine (CID 19616674) is 2-(3-nitropyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)ethanamine is NCCn1ccc([N+](=O)[O-])n1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)ethanamine?
The InChIKey is ZUIVDEOQMZTGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-2-4-8-3-1-5(7-8)9(10)11/h1,3H,2,4,6H2.
What are the key properties of 2-(3-nitropyrazol-1-yl)ethanamine?
2-(3-nitropyrazol-1-yl)ethanamine has a molecular weight of 156.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)ethanamine is sourced from PubChem (CID 19616674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).