2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine

C14H20BrN3O — CID 105000428

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1coc(C)c1
InChIInChI=1S/C14H20BrN3O/c1-5-16-12(11-6-9(2)19-8-11)7-13-14(15)10(3)17-18(13)4/h6,8,12,16H,5,7H2,1-4H3
InChIKeyZVMSPFOVYPLTSO-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 105000428) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
PubChem CID105000428
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1coc(C)c1
InChIInChI=1S/C14H20BrN3O/c1-5-16-12(11-6-9(2)19-8-11)7-13-14(15)10(3)17-18(13)4/h6,8,12,16H,5,7H2,1-4H3
InChIKeyZVMSPFOVYPLTSO-UHFFFAOYSA-N
XLogP3.29
TPSA42.99 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 105000320
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 104994582
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 105000414
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530947
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160957
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105315999
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 105000455
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
CID 104996502
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105000232

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (CID 105000428) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is CCNC(Cc1c(Br)c(C)nn1C)c1coc(C)c1.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is ZVMSPFOVYPLTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-5-16-12(11-6-9(2)19-8-11)7-13-14(15)10(3)17-18(13)4/h6,8,12,16H,5,7H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 326.24 g/mol, XLogP of 3.29, 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-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 105000428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).