[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

C11H9BrF3N3 — CID 114879817

IUPAC[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESNCc1c(Br)cccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3/c12-8-2-1-3-9(7(8)6-16)18-5-4-10(17-18)11(13,14)15/h1-5H,6,16H2
InChIKeyRABKKFKREJDEIY-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.11
Rot. Bonds2

About [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (PubChem CID 114879817) has the molecular formula C11H9BrF3N3 and a molecular weight of 320.11 g/mol. Its IUPAC name is [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
PubChem CID114879817
Molecular FormulaC11H9BrF3N3
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESNCc1c(Br)cccc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H9BrF3N3/c12-8-2-1-3-9(7(8)6-16)18-5-4-10(17-18)11(13,14)15/h1-5H,6,16H2
InChIKeyRABKKFKREJDEIY-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 79517436
[3-bromo-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 82797228
1-[2-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 114879828
[2-bromo-6-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 84707825
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
2-fluoro-N'-hydroxy-6-[3-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 79519446
[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 113320436
2-(chloromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinoline
CID 63375402
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
1-[2-[2-[2-[2-(3-methylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 70790409
[2-bromo-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methanamine
CID 114879815
[4-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 62287576

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The IUPAC name of [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (CID 114879817) is [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The canonical SMILES for [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is NCc1c(Br)cccc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The InChIKey is RABKKFKREJDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3/c12-8-2-1-3-9(7(8)6-16)18-5-4-10(17-18)11(13,14)15/h1-5H,6,16H2.
What are the key properties of [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
[2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine has a molecular weight of 320.11 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 114879817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).