2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine

C15H26ClN3 — CID 80603689

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
SMILESCc1nn(C)c(CC(N)C2CCCCCCC2)c1Cl
InChIInChI=1S/C15H26ClN3/c1-11-15(16)14(19(2)18-11)10-13(17)12-8-6-4-3-5-7-9-12/h12-13H,3-10,17H2,1-2H3
InChIKeyOOAKXZGFHZCJCR-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine (PubChem CID 80603689) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
PubChem CID80603689
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
SMILESCc1nn(C)c(CC(N)C2CCCCCCC2)c1Cl
InChIInChI=1S/C15H26ClN3/c1-11-15(16)14(19(2)18-11)10-13(17)12-8-6-4-3-5-7-9-12/h12-13H,3-10,17H2,1-2H3
InChIKeyOOAKXZGFHZCJCR-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine 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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(thiolan-2-yl)ethanamine
CID 80621779
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79974141
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 79088399
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093524
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]hydrazine
CID 105265889
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105161017
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 113432771
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653157
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616317
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine (CID 80603689) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine is Cc1nn(C)c(CC(N)C2CCCCCCC2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine?
The InChIKey is OOAKXZGFHZCJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-11-15(16)14(19(2)18-11)10-13(17)12-8-6-4-3-5-7-9-12/h12-13H,3-10,17H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine has a molecular weight of 283.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine is sourced from PubChem (CID 80603689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).