1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C8H11BrF3N3O — CID 103216484

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1ncc(Br)c1C(N)COCC(F)(F)F
InChIInChI=1S/C8H11BrF3N3O/c1-15-7(5(9)2-14-15)6(13)3-16-4-8(10,11)12/h2,6H,3-4,13H2,1H3
InChIKeyOIAZRKHTTUEJPJ-UHFFFAOYSA-N
MW302.09 g/mol
LogP1.76
Rot. Bonds4

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216484) has the molecular formula C8H11BrF3N3O and a molecular weight of 302.09 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216484
Molecular FormulaC8H11BrF3N3O
Molecular Weight302.09 g/mol
Exact Mass301.00
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCn1ncc(Br)c1C(N)COCC(F)(F)F
InChIInChI=1S/C8H11BrF3N3O/c1-15-7(5(9)2-14-15)6(13)3-16-4-8(10,11)12/h2,6H,3-4,13H2,1H3
InChIKeyOIAZRKHTTUEJPJ-UHFFFAOYSA-N
XLogP1.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148168
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148166
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoro-N-methylpropan-1-amine
CID 130899126
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216484) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cn1ncc(Br)c1C(N)COCC(F)(F)F.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is OIAZRKHTTUEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrF3N3O/c1-15-7(5(9)2-14-15)6(13)3-16-4-8(10,11)12/h2,6H,3-4,13H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 302.09 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).