2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine

C13H18BrN3O — CID 113455178

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2occc2C)c1Br
InChIInChI=1S/C13H18BrN3O/c1-4-10-12(14)11(17(3)16-10)7-9(15)13-8(2)5-6-18-13/h5-6,9H,4,7,15H2,1-3H3
InChIKeyJJQNGPVXYUILIY-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.89
Rot. Bonds4

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 113455178) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID113455178
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2occc2C)c1Br
InChIInChI=1S/C13H18BrN3O/c1-4-10-12(14)11(17(3)16-10)7-9(15)13-8(2)5-6-18-13/h5-6,9H,4,7,15H2,1-3H3
InChIKeyJJQNGPVXYUILIY-UHFFFAOYSA-N
XLogP2.89
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804208
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromofuran-3-yl)ethanamine
CID 106857889
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 104994444
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 104994614
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 104994609
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968448
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103215560
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105157550
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine (CID 113455178) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine is CCc1nn(C)c(CC(N)c2occc2C)c1Br.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is JJQNGPVXYUILIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-4-10-12(14)11(17(3)16-10)7-9(15)13-8(2)5-6-18-13/h5-6,9H,4,7,15H2,1-3H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 312.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 113455178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).