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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Related Compounds

2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
CID 114667784
2-fluoro-3,3-dimethyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 112566609
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-fluoro-3-methylbutan-1-amine
CID 114667857
2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
CID 114665935
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
CID 155787889
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
CID 114638271
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527

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).