1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

C13H15BrFN3 — CID 82877389

IUPAC1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN3/c1-16-13(8-12-3-4-18(2)17-12)9-5-10(14)7-11(15)6-9/h3-7,13,16H,8H2,1-2H3
InChIKeyAYQPQIASZZFEAG-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82877389) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID82877389
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN3/c1-16-13(8-12-3-4-18(2)17-12)9-5-10(14)7-11(15)6-9/h3-7,13,16H,8H2,1-2H3
InChIKeyAYQPQIASZZFEAG-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 66425234
1-(4-bromophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876754
N-methyl-1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025275
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025271
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
1-(3-bromo-5-fluorophenyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 66424445
4-[2-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 66425232
N-[1-(2-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025657
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114024237
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 82877389) is 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C)n1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is AYQPQIASZZFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-16-13(8-12-3-4-18(2)17-12)9-5-10(14)7-11(15)6-9/h3-7,13,16H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 312.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82877389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).