2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine

C15H29N3 — CID 79224910

IUPAC2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nn(CC(C)C)c1CC
InChIInChI=1S/C15H29N3/c1-6-14-13(9-10-16-8-3)15(7-2)18(17-14)11-12(4)5/h12,16H,6-11H2,1-5H3
InChIKeyFBAYBXOKPIWZMJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.82
Rot. Bonds8

About 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine

2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine (PubChem CID 79224910) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
PubChem CID79224910
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nn(CC(C)C)c1CC
InChIInChI=1S/C15H29N3/c1-6-14-13(9-10-16-8-3)15(7-2)18(17-14)11-12(4)5/h12,16H,6-11H2,1-5H3
InChIKeyFBAYBXOKPIWZMJ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine (CID 79224910) is 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine is CCNCCc1c(CC)nn(CC(C)C)c1CC.
What is the InChIKey of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine?
The InChIKey is FBAYBXOKPIWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-14-13(9-10-16-8-3)15(7-2)18(17-14)11-12(4)5/h12,16H,6-11H2,1-5H3.
What are the key properties of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine?
2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine has a molecular weight of 251.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 79224910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).