1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine

C13H16BrN3 — CID 82967843

IUPAC1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1-n1cc(C)cn1
InChIInChI=1S/C13H16BrN3/c1-9-7-16-17(8-9)13-5-4-11(14)6-12(13)10(2)15-3/h4-8,10,15H,1-3H3
InChIKeyUZPWSNHPQLGXIP-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.22
Rot. Bonds3

About 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine

1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine (PubChem CID 82967843) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine
PubChem CID82967843
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1-n1cc(C)cn1
InChIInChI=1S/C13H16BrN3/c1-9-7-16-17(8-9)13-5-4-11(14)6-12(13)10(2)15-3/h4-8,10,15H,1-3H3
InChIKeyUZPWSNHPQLGXIP-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061
5-bromo-2-(4-methylpyrazol-1-yl)benzaldehyde
CID 84711366
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 60872941
1-(5-bromo-2-indazol-1-ylphenyl)-N-methylethanamine
CID 82968624
1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 82968622
1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 82968673
1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196328
ethyl 1-[4-bromo-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 82970522
1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968629
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperazin-2-one
CID 82971865
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine (CID 82967843) is 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1-n1cc(C)cn1.
What is the InChIKey of 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine?
The InChIKey is UZPWSNHPQLGXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-7-16-17(8-9)13-5-4-11(14)6-12(13)10(2)15-3/h4-8,10,15H,1-3H3.
What are the key properties of 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine?
1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine has a molecular weight of 294.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82967843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).