4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline

C13H16BrN3 — CID 54863710

IUPAC4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1cc(Br)cc(C)c1NCc1ccnn1C
InChIInChI=1S/C13H16BrN3/c1-9-6-11(14)7-10(2)13(9)15-8-12-4-5-16-17(12)3/h4-7,15H,8H2,1-3H3
InChIKeyGKIBWJFJNXHUBT-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.41
Rot. Bonds3

About 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline

4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 54863710) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID54863710
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCc1cc(Br)cc(C)c1NCc1ccnn1C
InChIInChI=1S/C13H16BrN3/c1-9-6-11(14)7-10(2)13(9)15-8-12-4-5-16-17(12)3/h4-7,15H,8H2,1-3H3
InChIKeyGKIBWJFJNXHUBT-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

3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
1,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166497
4-bromo-2,6-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 54863746
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
4-N,4-N,2-trimethyl-1-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 43677065
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
5-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyridazin-3-amine
CID 106549752
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 54863710) is 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is Cc1cc(Br)cc(C)c1NCc1ccnn1C.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is GKIBWJFJNXHUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-6-11(14)7-10(2)13(9)15-8-12-4-5-16-17(12)3/h4-7,15H,8H2,1-3H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline?
4-bromo-2,6-dimethyl-N-[(2-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-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 54863710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).