1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine

C15H18Br2ClN3 — CID 105002384

IUPAC1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(Br)cc2Cl)c1Br
InChIInChI=1S/C15H18Br2ClN3/c1-3-13-15(17)14(21(4-2)20-13)8-12(19)10-6-5-9(16)7-11(10)18/h5-7,12H,3-4,8,19H2,1-2H3
InChIKeyJCONGKZIPZKMOC-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.89
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine

1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine (PubChem CID 105002384) has the molecular formula C15H18Br2ClN3 and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
PubChem CID105002384
Molecular FormulaC15H18Br2ClN3
Molecular Weight435.59 g/mol
Exact Mass432.96
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(Br)cc2Cl)c1Br
InChIInChI=1S/C15H18Br2ClN3/c1-3-13-15(17)14(21(4-2)20-13)8-12(19)10-6-5-9(16)7-11(10)18/h5-7,12H,3-4,8,19H2,1-2H3
InChIKeyJCONGKZIPZKMOC-UHFFFAOYSA-N
XLogP4.89
TPSA43.84 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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
CID 105002460
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103406536
1-(5-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 104998909
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804208

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine (CID 105002384) is 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine is CCc1nn(CC)c(CC(N)c2ccc(Br)cc2Cl)c1Br.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine?
The InChIKey is JCONGKZIPZKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2ClN3/c1-3-13-15(17)14(21(4-2)20-13)8-12(19)10-6-5-9(16)7-11(10)18/h5-7,12H,3-4,8,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine?
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine has a molecular weight of 435.59 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105002384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).