3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole

C14H25N3O4 — CID 122632892

IUPAC3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole
SMILESCCc1nn(CCOCCOCCOC)c(CC)c1N=O
InChIInChI=1S/C14H25N3O4/c1-4-12-14(16-18)13(5-2)17(15-12)6-7-20-10-11-21-9-8-19-3/h4-11H2,1-3H3
InChIKeyURQLPMXGLIBZDF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds12

About 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole

3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole (PubChem CID 122632892) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole
PubChem CID122632892
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole
SMILESCCc1nn(CCOCCOCCOC)c(CC)c1N=O
InChIInChI=1S/C14H25N3O4/c1-4-12-14(16-18)13(5-2)17(15-12)6-7-20-10-11-21-9-8-19-3/h4-11H2,1-3H3
InChIKeyURQLPMXGLIBZDF-UHFFFAOYSA-N
XLogP2.09
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole?
The IUPAC name of 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole (CID 122632892) is 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole.
What is the SMILES notation for 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole?
The canonical SMILES for 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole is CCc1nn(CCOCCOCCOC)c(CC)c1N=O.
What is the InChIKey of 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole?
The InChIKey is URQLPMXGLIBZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-12-14(16-18)13(5-2)17(15-12)6-7-20-10-11-21-9-8-19-3/h4-11H2,1-3H3.
What are the key properties of 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole?
3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole has a molecular weight of 299.37 g/mol, XLogP of 2.09, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-nitrosopyrazole is sourced from PubChem (CID 122632892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).