2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine

C15H18Br2ClN3 — CID 104996741

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1C)c1cc(Br)ccc1Br
InChIInChI=1S/C15H18Br2ClN3/c1-4-19-13(11-7-10(16)5-6-12(11)17)8-14-15(18)9(2)20-21(14)3/h5-7,13,19H,4,8H2,1-3H3
InChIKeyJXWXQLSKCLGVLZ-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.80
Rot. Bonds5

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine (PubChem CID 104996741) has the molecular formula C15H18Br2ClN3 and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
PubChem CID104996741
Molecular FormulaC15H18Br2ClN3
Molecular Weight435.59 g/mol
Exact Mass432.96
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Cl)c(C)nn1C)c1cc(Br)ccc1Br
InChIInChI=1S/C15H18Br2ClN3/c1-4-19-13(11-7-10(16)5-6-12(11)17)8-14-15(18)9(2)20-21(14)3/h5-7,13,19H,4,8H2,1-3H3
InChIKeyJXWXQLSKCLGVLZ-UHFFFAOYSA-N
XLogP4.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethylethanamine
CID 104996502
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
CID 105316977
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105158795
1-(2,5-dibromophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002758
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530910
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783715
1-(2,5-dibromophenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003171
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 104996861
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 114330434
1-(2-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996816
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine (CID 104996741) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine is CCNC(Cc1c(Cl)c(C)nn1C)c1cc(Br)ccc1Br.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
The InChIKey is JXWXQLSKCLGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2ClN3/c1-4-19-13(11-7-10(16)5-6-12(11)17)8-14-15(18)9(2)20-21(14)3/h5-7,13,19H,4,8H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine has a molecular weight of 435.59 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine is sourced from PubChem (CID 104996741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).