4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline

C13H15Br2N3 — CID 62566398

IUPAC4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline
SMILESCc1nn(CCNc2ccc(Br)cc2)c(C)c1Br
InChIInChI=1S/C13H15Br2N3/c1-9-13(15)10(2)18(17-9)8-7-16-12-5-3-11(14)4-6-12/h3-6,16H,7-8H2,1-2H3
InChIKeyAIZCXTCKLHHCIK-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.14
Rot. Bonds4

About 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline

4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline (PubChem CID 62566398) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline
PubChem CID62566398
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline
SMILESCc1nn(CCNc2ccc(Br)cc2)c(C)c1Br
InChIInChI=1S/C13H15Br2N3/c1-9-13(15)10(2)18(17-9)8-7-16-12-5-3-11(14)4-6-12/h3-6,16H,7-8H2,1-2H3
InChIKeyAIZCXTCKLHHCIK-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 55088760
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
CID 62130109
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 55088230
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
CID 19616349
4-bromo-3,5-dimethyl-1-(2-methylsulfanylethyl)pyrazole
CID 115773469
4-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62562427
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
4-bromo-N-(2-methylsulfanylethyl)aniline
CID 62579741
4-bromo-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]aniline
CID 62577652
3-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 62564004

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline (CID 62566398) is 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline is Cc1nn(CCNc2ccc(Br)cc2)c(C)c1Br.
What is the InChIKey of 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
The InChIKey is AIZCXTCKLHHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-9-13(15)10(2)18(17-9)8-7-16-12-5-3-11(14)4-6-12/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline?
4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline has a molecular weight of 373.09 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62566398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).