N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine

C16H24BrN3O — CID 106858001

IUPACN-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)c1ccoc1Br
InChIInChI=1S/C16H24BrN3O/c1-4-8-18-15(14-7-9-21-16(14)17)11-13-10-12(5-2)19-20(13)6-3/h7,9-10,15,18H,4-6,8,11H2,1-3H3
InChIKeyPSJMUBAATDADDA-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.10
Rot. Bonds8

About N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine

N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 106858001) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID106858001
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(CC)nn1CC)c1ccoc1Br
InChIInChI=1S/C16H24BrN3O/c1-4-8-18-15(14-7-9-21-16(14)17)11-13-10-12(5-2)19-20(13)6-3/h7,9-10,15,18H,4-6,8,11H2,1-3H3
InChIKeyPSJMUBAATDADDA-UHFFFAOYSA-N
XLogP4.10
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromofuran-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 106857811
[2-(1,3-diethylpyrazol-5-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269153
N-[1-(2-bromofuran-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 106857947
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805474
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-bromofuran-3-yl)methyl]propan-1-amine
CID 106858618
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine (CID 106858001) is N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(CC)nn1CC)c1ccoc1Br.
What is the InChIKey of N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is PSJMUBAATDADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-4-8-18-15(14-7-9-21-16(14)17)11-13-10-12(5-2)19-20(13)6-3/h7,9-10,15,18H,4-6,8,11H2,1-3H3.
What are the key properties of N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine?
N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 354.29 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromofuran-3-yl)-2-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106858001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).