3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline

C13H15Br2N3 — CID 107329643

IUPAC3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline
SMILESCc1nn(C)c(CNc2cccc(Br)c2C)c1Br
InChIInChI=1S/C13H15Br2N3/c1-8-10(14)5-4-6-11(8)16-7-12-13(15)9(2)17-18(12)3/h4-6,16H,7H2,1-3H3
InChIKeyXEVFHSOERROWBT-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.17
Rot. Bonds3

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

3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline (PubChem CID 107329643) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline
PubChem CID107329643
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline
SMILESCc1nn(C)c(CNc2cccc(Br)c2C)c1Br
InChIInChI=1S/C13H15Br2N3/c1-8-10(14)5-4-6-11(8)16-7-12-13(15)9(2)17-18(12)3/h4-6,16H,7H2,1-3H3
InChIKeyXEVFHSOERROWBT-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-methoxyaniline
CID 103412974
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline
CID 107630081
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
6-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]naphthalen-2-amine
CID 81266787
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
2-bromo-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-chloroaniline
CID 103478941
3-bromo-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 107630219
1-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759550
3-bromo-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107630419

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline?
The IUPAC name of 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline (CID 107329643) is 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline.
What is the SMILES notation for 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline?
The canonical SMILES for 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline is Cc1nn(C)c(CNc2cccc(Br)c2C)c1Br.
What is the InChIKey of 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline?
The InChIKey is XEVFHSOERROWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-8-10(14)5-4-6-11(8)16-7-12-13(15)9(2)17-18(12)3/h4-6,16H,7H2,1-3H3.
What are the key properties of 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline?
3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline has a molecular weight of 373.09 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline is sourced from PubChem (CID 107329643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).