2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine

C11H20N4O5 — CID 138694115

IUPAC2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H20N4O5/c12-1-3-18-5-7-20-8-6-19-4-2-14-10-11(9-13-14)15(16)17/h9-10H,1-8,12H2
InChIKeyVWVJRCZUVQPRRX-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.20
Rot. Bonds12

About 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 138694115) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID138694115
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H20N4O5/c12-1-3-18-5-7-20-8-6-19-4-2-14-10-11(9-13-14)15(16)17/h9-10H,1-8,12H2
InChIKeyVWVJRCZUVQPRRX-UHFFFAOYSA-N
XLogP-0.20
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
1-butyl-4-nitropyrazole
CID 50999673
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-nitropyrazole-3-carboxamide
CID 138695018
4-nitro-1-octylpyrazole
CID 50999936
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
2-[2-(4-phenylpyrazol-1-yl)ethoxy]ethanamine
CID 103482340
1-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]propan-2-one;4-nitro-1H-pyrazole;1-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]propan-2-one;2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 159548603
4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
CID 154229757
2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 71846970
N'-[2-(4-nitropyrazol-1-yl)ethyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872506
2-[4-(4-nitrophenoxy)pyrazol-1-yl]ethanamine;hydrochloride
CID 166174646

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine (CID 138694115) is 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is VWVJRCZUVQPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c12-1-3-18-5-7-20-8-6-19-4-2-14-10-11(9-13-14)15(16)17/h9-10H,1-8,12H2.
What are the key properties of 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 288.30 g/mol, XLogP of -0.20, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-nitropyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 138694115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).