2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine

C15H26ClN3O — CID 116761589

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2c(Cl)c(CC)nn2C)CCCC1
InChIInChI=1S/C15H26ClN3O/c1-4-11-14(16)12(19(3)18-11)10-13(17)15(20-5-2)8-6-7-9-15/h13H,4-10,17H2,1-3H3
InChIKeyOOWNLLRFMKDUFB-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.86
Rot. Bonds6

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine (PubChem CID 116761589) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
PubChem CID116761589
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
SMILESCCOC1(C(N)Cc2c(Cl)c(CC)nn2C)CCCC1
InChIInChI=1S/C15H26ClN3O/c1-4-11-14(16)12(19(3)18-11)10-13(17)15(20-5-2)8-6-7-9-15/h13H,4-10,17H2,1-3H3
InChIKeyOOWNLLRFMKDUFB-UHFFFAOYSA-N
XLogP2.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753008
1-[1-amino-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79062504
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761546
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 113432771
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748381
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998501
1-(1-ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051124
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
2-(2-chlorophenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 116770609
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-amine
CID 116717592

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine (CID 116761589) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine is CCOC1(C(N)Cc2c(Cl)c(CC)nn2C)CCCC1.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine?
The InChIKey is OOWNLLRFMKDUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-11-14(16)12(19(3)18-11)10-13(17)15(20-5-2)8-6-7-9-15/h13H,4-10,17H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine has a molecular weight of 299.85 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine is sourced from PubChem (CID 116761589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).