2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine

C14H20BrN3O — CID 104804208

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2occc2C)c1Br
InChIInChI=1S/C14H20BrN3O/c1-4-11-13(15)12(18(5-2)17-11)8-10(16)14-9(3)6-7-19-14/h6-7,10H,4-5,8,16H2,1-3H3
InChIKeyAFHJTRIGVHULPT-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104804208) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104804208
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2occc2C)c1Br
InChIInChI=1S/C14H20BrN3O/c1-4-11-13(15)12(18(5-2)17-11)8-10(16)14-9(3)6-7-19-14/h6-7,10H,4-5,8,16H2,1-3H3
InChIKeyAFHJTRIGVHULPT-UHFFFAOYSA-N
XLogP3.37
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455178
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
CID 105002460
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103406536
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
CID 79430400
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106692448
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine (CID 104804208) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine is CCc1nn(CC)c(CC(N)c2occc2C)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is AFHJTRIGVHULPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-4-11-13(15)12(18(5-2)17-11)8-10(16)14-9(3)6-7-19-14/h6-7,10H,4-5,8,16H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 326.24 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104804208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).