1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine

C12H21N3 — CID 105153055

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cc(CC)nn1C
InChIInChI=1S/C12H21N3/c1-4-6-7-8-11(13)12-9-10(5-2)14-15(12)3/h4,9,11H,1,5-8,13H2,2-3H3
InChIKeyFHJRQQPRPLTKDT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine

1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine (PubChem CID 105153055) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
PubChem CID105153055
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1cc(CC)nn1C
InChIInChI=1S/C12H21N3/c1-4-6-7-8-11(13)12-9-10(5-2)14-15(12)3/h4,9,11H,1,5-8,13H2,2-3H3
InChIKeyFHJRQQPRPLTKDT-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
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 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-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-(3-ethyl-1-methylpyrazol-5-yl)-5-methylhexan-1-amine
CID 105177018
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-1-amine
CID 105138150
1-(3-ethyl-1-methylpyrazol-5-yl)hex-4-yn-1-amine
CID 105181413
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
1-(3-methylimidazol-4-yl)oct-7-en-1-amine
CID 107009628
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171468
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
2-(3-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105169370
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylhex-5-en-2-ol
CID 104656253
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine (CID 105153055) is 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine is C=CCCCC(N)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine?
The InChIKey is FHJRQQPRPLTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-6-7-8-11(13)12-9-10(5-2)14-15(12)3/h4,9,11H,1,5-8,13H2,2-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-en-1-amine is sourced from PubChem (CID 105153055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).