5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine

C14H25N3 — CID 79591052

IUPAC5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
SMILESCCNCCC=CCc1cc(CC)nn1CC
InChIInChI=1S/C14H25N3/c1-4-13-12-14(17(6-3)16-13)10-8-7-9-11-15-5-2/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyJSXUNDJKSGLPRP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.56
Rot. Bonds8

About 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine

5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine (PubChem CID 79591052) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
PubChem CID79591052
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
SMILESCCNCCC=CCc1cc(CC)nn1CC
InChIInChI=1S/C14H25N3/c1-4-13-12-14(17(6-3)16-13)10-8-7-9-11-15-5-2/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyJSXUNDJKSGLPRP-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-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-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine?
The IUPAC name of 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine (CID 79591052) is 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine.
What is the SMILES notation for 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine?
The canonical SMILES for 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine is CCNCCC=CCc1cc(CC)nn1CC.
What is the InChIKey of 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine?
The InChIKey is JSXUNDJKSGLPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-13-12-14(17(6-3)16-13)10-8-7-9-11-15-5-2/h7-8,12,15H,4-6,9-11H2,1-3H3.
What are the key properties of 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine?
5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine is sourced from PubChem (CID 79591052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).