2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine

C10H17BrFN3 — CID 114667850

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCn1ncc(Br)c1C(F)(CN)C(C)(C)C
InChIInChI=1S/C10H17BrFN3/c1-9(2,3)10(12,6-13)8-7(11)5-14-15(8)4/h5H,6,13H2,1-4H3
InChIKeyIZYUUJPECXYIQM-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine

2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 114667850) has the molecular formula C10H17BrFN3 and a molecular weight of 278.17 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID114667850
Molecular FormulaC10H17BrFN3
Molecular Weight278.17 g/mol
Exact Mass277.06
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCn1ncc(Br)c1C(F)(CN)C(C)(C)C
InChIInChI=1S/C10H17BrFN3/c1-9(2,3)10(12,6-13)8-7(11)5-14-15(8)4/h5H,6,13H2,1-4H3
InChIKeyIZYUUJPECXYIQM-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 114667850) is 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine is Cn1ncc(Br)c1C(F)(CN)C(C)(C)C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is IZYUUJPECXYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrFN3/c1-9(2,3)10(12,6-13)8-7(11)5-14-15(8)4/h5H,6,13H2,1-4H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 278.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114667850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).