1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

C15H19BrClN3 — CID 104996026

IUPAC1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H19BrClN3/c1-4-18-15(9-12-7-10(2)19-20(12)3)11-5-6-13(16)14(17)8-11/h5-8,15,18H,4,9H2,1-3H3
InChIKeyRAPGGYKOKAKETE-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (PubChem CID 104996026) has the molecular formula C15H19BrClN3 and a molecular weight of 356.70 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
PubChem CID104996026
Molecular FormulaC15H19BrClN3
Molecular Weight356.70 g/mol
Exact Mass355.05
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)nn1C)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H19BrClN3/c1-4-18-15(9-12-7-10(2)19-20(12)3)11-5-6-13(16)14(17)8-11/h5-8,15,18H,4,9H2,1-3H3
InChIKeyRAPGGYKOKAKETE-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011253
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996013
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
1-(3-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996322
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (CID 104996026) is 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is CCNC(Cc1cc(C)nn1C)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The InChIKey is RAPGGYKOKAKETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3/c1-4-18-15(9-12-7-10(2)19-20(12)3)11-5-6-13(16)14(17)8-11/h5-8,15,18H,4,9H2,1-3H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine has a molecular weight of 356.70 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 104996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).