5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine

C12H23N3O2 — CID 66013671

IUPAC5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCCCOCCOc1c(N)c(C)nn1CC
InChIInChI=1S/C12H23N3O2/c1-4-6-7-16-8-9-17-12-11(13)10(3)14-15(12)5-2/h4-9,13H2,1-3H3
InChIKeyFLZPLZBTGJZRRM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.99
Rot. Bonds8

About 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine

5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66013671) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66013671
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCCCOCCOc1c(N)c(C)nn1CC
InChIInChI=1S/C12H23N3O2/c1-4-6-7-16-8-9-17-12-11(13)10(3)14-15(12)5-2/h4-9,13H2,1-3H3
InChIKeyFLZPLZBTGJZRRM-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine (CID 66013671) is 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine is CCCCOCCOc1c(N)c(C)nn1CC.
What is the InChIKey of 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is FLZPLZBTGJZRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-6-7-16-8-9-17-12-11(13)10(3)14-15(12)5-2/h4-9,13H2,1-3H3.
What are the key properties of 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine?
5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 241.33 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethoxy)-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66013671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).