N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine

C14H23N3 — CID 105179702

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1cc(CC)nn1C
InChIInChI=1S/C14H23N3/c1-5-8-9-10-13(15-7-3)14-11-12(6-2)16-17(14)4/h1,11,13,15H,6-10H2,2-4H3
InChIKeyLJPFHQGWLLDQPN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.44
Rot. Bonds7

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

N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine (PubChem CID 105179702) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
PubChem CID105179702
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1cc(CC)nn1C
InChIInChI=1S/C14H23N3/c1-5-8-9-10-13(15-7-3)14-11-12(6-2)16-17(14)4/h1,11,13,15H,6-10H2,2-4H3
InChIKeyLJPFHQGWLLDQPN-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-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-ethylpent-4-yn-1-amine
CID 105149069
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
1-(2,5-dimethylpyrazol-3-yl)-N-propylhex-5-yn-1-amine
CID 105179663
2-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105165203
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158441
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-5-yn-1-amine
CID 105179583
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
CID 105102750
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine (CID 105179702) is N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine is C#CCCCC(NCC)c1cc(CC)nn1C.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine?
The InChIKey is LJPFHQGWLLDQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-8-9-10-13(15-7-3)14-11-12(6-2)16-17(14)4/h1,11,13,15H,6-10H2,2-4H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hex-5-yn-1-amine is sourced from PubChem (CID 105179702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).