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

C13H23N3 — CID 105108095

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C13H23N3/c1-5-9-12(14-7-3)13-10-11(6-2)15-16(13)8-4/h5,10,12,14H,1,6-9H2,2-4H3
InChIKeyLVPBUDREBXGYOA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.69
Rot. Bonds7

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

1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine (PubChem CID 105108095) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
PubChem CID105108095
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
SMILESC=CCC(NCC)c1cc(CC)nn1CC
InChIInChI=1S/C13H23N3/c1-5-9-12(14-7-3)13-10-11(6-2)15-16(13)8-4/h5,10,12,14H,1,6-9H2,2-4H3
InChIKeyLVPBUDREBXGYOA-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-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

Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
1-(1,3-diethylpyrazol-5-yl)prop-2-enylhydrazine
CID 105318016
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030515
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine (CID 105108095) is 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine is C=CCC(NCC)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine?
The InChIKey is LVPBUDREBXGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-9-12(14-7-3)13-10-11(6-2)15-16(13)8-4/h5,10,12,14H,1,6-9H2,2-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 105108095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).