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

C11H21N3O3 — CID 104559959

IUPAC1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCCOCCOC
InChIInChI=1S/C11H21N3O3/c1-4-14-11(10(12)9(2)13-14)17-8-7-16-6-5-15-3/h4-8,12H2,1-3H3
InChIKeyOYHDQBQYZHPNAL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.84
Rot. Bonds8

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

1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine (PubChem CID 104559959) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
PubChem CID104559959
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCCOCCOC
InChIInChI=1S/C11H21N3O3/c1-4-14-11(10(12)9(2)13-14)17-8-7-16-6-5-15-3/h4-8,12H2,1-3H3
InChIKeyOYHDQBQYZHPNAL-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine?
The IUPAC name of 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine (CID 104559959) is 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1OCCOCCOC.
What is the InChIKey of 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine?
The InChIKey is OYHDQBQYZHPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-14-11(10(12)9(2)13-14)17-8-7-16-6-5-15-3/h4-8,12H2,1-3H3.
What are the key properties of 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine?
1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-3-methylpyrazol-4-amine is sourced from PubChem (CID 104559959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).