4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline

C13H16BrN3 — CID 103579685

IUPAC4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
SMILESCc1cc(NCc2ccn(C)n2)cc(C)c1Br
InChIInChI=1S/C13H16BrN3/c1-9-6-12(7-10(2)13(9)14)15-8-11-4-5-17(3)16-11/h4-7,15H,8H2,1-3H3
InChIKeyIHZSFZPIHYKULK-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.41
Rot. Bonds3

About 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline

4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline (PubChem CID 103579685) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
PubChem CID103579685
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
SMILESCc1cc(NCc2ccn(C)n2)cc(C)c1Br
InChIInChI=1S/C13H16BrN3/c1-9-6-12(7-10(2)13(9)14)15-8-11-4-5-17(3)16-11/h4-7,15H,8H2,1-3H3
InChIKeyIHZSFZPIHYKULK-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 115748880
3-N,3-N,4-trimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,3-diamine
CID 82865842
methyl 2-amino-3-methyl-5-[(1-methylpyrazol-3-yl)methylamino]benzoate
CID 82882452
2-methyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenecarbothioamide
CID 82873759
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867128
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
4-iodo-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 115909524
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 114330797

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline (CID 103579685) is 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline is Cc1cc(NCc2ccn(C)n2)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is IHZSFZPIHYKULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-6-12(7-10(2)13(9)14)15-8-11-4-5-17(3)16-11/h4-7,15H,8H2,1-3H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline?
4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 294.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 103579685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).