2-(4-nitropyrazol-1-yl)ethanamine

C5H8N4O2 — CID 7017136

IUPAC2-(4-nitropyrazol-1-yl)ethanamine
SMILESNCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C5H8N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,1-2,6H2
InChIKeyGZTQKSKBFGFMNR-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.25
Rot. Bonds3

About 2-(4-nitropyrazol-1-yl)ethanamine

2-(4-nitropyrazol-1-yl)ethanamine (PubChem CID 7017136) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)ethanamine
PubChem CID7017136
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(4-nitropyrazol-1-yl)ethanamine
SMILESNCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C5H8N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,1-2,6H2
InChIKeyGZTQKSKBFGFMNR-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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Related Compounds

2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 138694115
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
1-butyl-4-nitropyrazole
CID 50999673
4-nitro-1-octylpyrazole
CID 50999936
2-[4-(4-nitrophenoxy)pyrazol-1-yl]ethanamine;hydrochloride
CID 166174646
1-(2-but-3-enylsulfanylethyl)-4-nitropyrazole
CID 75386213
4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
CID 154229757
N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872506
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
[3-methyl-1-[2-(4-nitropyrazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 120771644
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-nitropyrazol-1-yl)ethanamine (CID 7017136) is 2-(4-nitropyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)ethanamine is NCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)ethanamine?
The InChIKey is GZTQKSKBFGFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,1-2,6H2.
What are the key properties of 2-(4-nitropyrazol-1-yl)ethanamine?
2-(4-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-(4-nitropyrazol-1-yl)ethanamine is sourced from PubChem (CID 7017136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).