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

C16H24ClN3O — CID 104998451

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ccc(CC)o1
InChIInChI=1S/C16H24ClN3O/c1-5-11-8-9-15(21-11)13(18-7-3)10-14-16(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyAMMWOBAVNWORQM-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.68
Rot. Bonds7

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

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine (PubChem CID 104998451) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
PubChem CID104998451
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ccc(CC)o1
InChIInChI=1S/C16H24ClN3O/c1-5-11-8-9-15(21-11)13(18-7-3)10-14-16(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyAMMWOBAVNWORQM-UHFFFAOYSA-N
XLogP3.68
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105316860
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 104998492
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105159794
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444619
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105159863
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997720
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
N-ethyl-1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanamine
CID 105029929
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylhexan-2-amine
CID 104998438
N-ethyl-1-(5-ethylfuran-2-yl)-2-(4-ethylphenyl)ethanamine
CID 115803280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine (CID 104998451) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine is CCNC(Cc1c(Cl)c(CC)nn1C)c1ccc(CC)o1.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
The InChIKey is AMMWOBAVNWORQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-5-11-8-9-15(21-11)13(18-7-3)10-14-16(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine has a molecular weight of 309.84 g/mol, XLogP of 3.68, 7 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)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine is sourced from PubChem (CID 104998451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).