N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C17H31N3 — CID 105002697

IUPACN-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)C1(CC)CCCC1
InChIInChI=1S/C17H31N3/c1-5-17(10-8-9-11-17)16(18-6-2)13-15-12-14(4)19-20(15)7-3/h12,16,18H,5-11,13H2,1-4H3
InChIKeyXAUCVXJLZBYKRB-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.70
Rot. Bonds7

About N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105002697) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105002697
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)C1(CC)CCCC1
InChIInChI=1S/C17H31N3/c1-5-17(10-8-9-11-17)16(18-6-2)13-15-12-14(4)19-20(15)7-3/h12,16,18H,5-11,13H2,1-4H3
InChIKeyXAUCVXJLZBYKRB-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830290
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250684
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
CID 66034904
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
[1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202931
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068561
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105002697) is N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCNC(Cc1cc(C)nn1CC)C1(CC)CCCC1.
What is the InChIKey of N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is XAUCVXJLZBYKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-17(10-8-9-11-17)16(18-6-2)13-15-12-14(4)19-20(15)7-3/h12,16,18H,5-11,13H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105002697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).