2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine

C15H26ClN3 — CID 107190783

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1CCCC1C
InChIInChI=1S/C15H26ClN3/c1-5-17-14(12-8-6-7-10(12)2)9-13-11(3)18-19(4)15(13)16/h10,12,14,17H,5-9H2,1-4H3
InChIKeyROAXBJJZFPALNH-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107190783) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
PubChem CID107190783
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1Cl)C1CCCC1C
InChIInChI=1S/C15H26ClN3/c1-5-17-14(12-8-6-7-10(12)2)9-13-11(3)18-19(4)15(13)16/h10,12,14,17H,5-9H2,1-4H3
InChIKeyROAXBJJZFPALNH-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105035095
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105180344
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105233011
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445293
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105180273
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105034953
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 113470323
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-cyclobutylethanamine
CID 115908707
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105034892
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714555

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine (CID 107190783) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine is CCNC(Cc1c(C)nn(C)c1Cl)C1CCCC1C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is ROAXBJJZFPALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-5-17-14(12-8-6-7-10(12)2)9-13-11(3)18-19(4)15(13)16/h10,12,14,17H,5-9H2,1-4H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 283.85 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107190783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).