3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine

C11H21N3O3 — CID 104560010

IUPAC3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(OCCOCCOC)c1N
InChIInChI=1S/C11H21N3O3/c1-4-9-10(12)11(14(2)13-9)17-8-7-16-6-5-15-3/h4-8,12H2,1-3H3
InChIKeyRDNWGDGGUBAOLO-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.61
Rot. Bonds8

About 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine

3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine (PubChem CID 104560010) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine
PubChem CID104560010
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(OCCOCCOC)c1N
InChIInChI=1S/C11H21N3O3/c1-4-9-10(12)11(14(2)13-9)17-8-7-16-6-5-15-3/h4-8,12H2,1-3H3
InChIKeyRDNWGDGGUBAOLO-UHFFFAOYSA-N
XLogP0.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
CID 104559958
5-[3-(2-methoxyethoxy)propoxy]-1,3-dimethylpyrazol-4-amine
CID 103400910
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
5-(2-ethoxyethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554429
1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
CID 104559959
3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine
CID 66016072
3-ethyl-1-methyl-5-(2-methylbutan-2-yloxy)pyrazol-4-amine
CID 66016455
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927949
5-ethoxy-1-methyl-3-propylpyrazol-4-amine
CID 66019111
5-(3,5-dimethylcyclohexyl)oxy-3-ethyl-1-methylpyrazol-4-amine
CID 66016271
5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-3-amine
CID 142435449
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927690

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine (CID 104560010) is 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine is CCc1nn(C)c(OCCOCCOC)c1N.
What is the InChIKey of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine?
The InChIKey is RDNWGDGGUBAOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-9-10(12)11(14(2)13-9)17-8-7-16-6-5-15-3/h4-8,12H2,1-3H3.
What are the key properties of 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine?
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine is sourced from PubChem (CID 104560010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).