2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine

C13H14Br2FN3 — CID 107953264

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
SMILESCc1nn(C)c(CC(N)c2cccc(Br)c2F)c1Br
InChIInChI=1S/C13H14Br2FN3/c1-7-12(15)11(19(2)18-7)6-10(17)8-4-3-5-9(14)13(8)16/h3-5,10H,6,17H2,1-2H3
InChIKeyDPQDEMGTUFGJHG-UHFFFAOYSA-N
MW391.08 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine (PubChem CID 107953264) has the molecular formula C13H14Br2FN3 and a molecular weight of 391.08 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
PubChem CID107953264
Molecular FormulaC13H14Br2FN3
Molecular Weight391.08 g/mol
Exact Mass388.95
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine
SMILESCc1nn(C)c(CC(N)c2cccc(Br)c2F)c1Br
InChIInChI=1S/C13H14Br2FN3/c1-7-12(15)11(19(2)18-7)6-10(17)8-4-3-5-9(14)13(8)16/h3-5,10H,6,17H2,1-2H3
InChIKeyDPQDEMGTUFGJHG-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 105160942
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105000382
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878006
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
CID 115814442
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 105000224
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-iodophenyl)ethanamine
CID 105000226
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105000529
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79449234
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine (CID 107953264) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine is Cc1nn(C)c(CC(N)c2cccc(Br)c2F)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine?
The InChIKey is DPQDEMGTUFGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2FN3/c1-7-12(15)11(19(2)18-7)6-10(17)8-4-3-5-9(14)13(8)16/h3-5,10H,6,17H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine has a molecular weight of 391.08 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-2-fluorophenyl)ethanamine is sourced from PubChem (CID 107953264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).