2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine

C14H19BrClN3O — CID 106692453

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
SMILESCCc1nn(CC)c(CC(NC)c2ccc(Cl)o2)c1Br
InChIInChI=1S/C14H19BrClN3O/c1-4-9-14(15)11(19(5-2)18-9)8-10(17-3)12-6-7-13(16)20-12/h6-7,10,17H,4-5,8H2,1-3H3
InChIKeyOKRVSMFVRURRHG-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine (PubChem CID 106692453) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
PubChem CID106692453
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
SMILESCCc1nn(CC)c(CC(NC)c2ccc(Cl)o2)c1Br
InChIInChI=1S/C14H19BrClN3O/c1-4-9-14(15)11(19(5-2)18-9)8-10(17-3)12-6-7-13(16)20-12/h6-7,10,17H,4-5,8H2,1-3H3
InChIKeyOKRVSMFVRURRHG-UHFFFAOYSA-N
XLogP3.98
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106692448
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-bromofuran-2-yl)ethyl]hydrazine
CID 105318898
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 105002358
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103406533
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105162282
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105002467
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 105002408

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine (CID 106692453) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine is CCc1nn(CC)c(CC(NC)c2ccc(Cl)o2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine?
The InChIKey is OKRVSMFVRURRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-4-9-14(15)11(19(5-2)18-9)8-10(17-3)12-6-7-13(16)20-12/h6-7,10,17H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorofuran-2-yl)-N-methylethanamine has a molecular weight of 360.68 g/mol, XLogP of 3.98, 6 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-(5-chlorofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 106692453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).