2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide

C12H20N4O5 — CID 71846970

IUPAC2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
SMILESCCOCCOC(C)C(=O)NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H20N4O5/c1-3-20-6-7-21-10(2)12(17)13-4-5-15-9-11(8-14-15)16(18)19/h8-10H,3-7H2,1-2H3,(H,13,17)
InChIKeyYVWSQFLYZKSBFO-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.35
Rot. Bonds10

About 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide

2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide (PubChem CID 71846970) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
PubChem CID71846970
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
SMILESCCOCCOC(C)C(=O)NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H20N4O5/c1-3-20-6-7-21-10(2)12(17)13-4-5-15-9-11(8-14-15)16(18)19/h8-10H,3-7H2,1-2H3,(H,13,17)
InChIKeyYVWSQFLYZKSBFO-UHFFFAOYSA-N
XLogP0.35
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-nitro-1-octylpyrazole
CID 50999936
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19564176
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 19281771
1-butyl-4-nitropyrazole
CID 50999673
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121
N-ethyl-2-(4-nitropyrazol-1-yl)propanamide
CID 19534268
6-(4-nitropyrazol-1-yl)hexan-2-ol
CID 66928671
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
1-(4-nitropyrazol-1-yl)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760165
3,4-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281829

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide (CID 71846970) is 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide is CCOCCOC(C)C(=O)NCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
The InChIKey is YVWSQFLYZKSBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c1-3-20-6-7-21-10(2)12(17)13-4-5-15-9-11(8-14-15)16(18)19/h8-10H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide?
2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 0.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 71846970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).