2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine

C15H29N3O2 — CID 103412911

IUPAC2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCOCCOC)c(CC)c1CCN
InChIInChI=1S/C15H29N3O2/c1-4-14-13(7-8-16)15(5-2)18(17-14)9-6-10-20-12-11-19-3/h4-12,16H2,1-3H3
InChIKeyYPUJBCBBFKFWBM-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.56
Rot. Bonds11

About 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine

2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine (PubChem CID 103412911) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
PubChem CID103412911
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCOCCOC)c(CC)c1CCN
InChIInChI=1S/C15H29N3O2/c1-4-14-13(7-8-16)15(5-2)18(17-14)9-6-10-20-12-11-19-3/h4-12,16H2,1-3H3
InChIKeyYPUJBCBBFKFWBM-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine 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 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine (CID 103412911) is 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine is CCc1nn(CCCOCCOC)c(CC)c1CCN.
What is the InChIKey of 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
The InChIKey is YPUJBCBBFKFWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-14-13(7-8-16)15(5-2)18(17-14)9-6-10-20-12-11-19-3/h4-12,16H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine?
2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 1.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 103412911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).