2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine

C9H16BrN3O — CID 84710739

IUPAC2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine
SMILESCC(C)c1nn(C)c(OCCN)c1Br
InChIInChI=1S/C9H16BrN3O/c1-6(2)8-7(10)9(13(3)12-8)14-5-4-11/h6H,4-5,11H2,1-3H3
InChIKeyINXWDQUJKAPPFB-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.64
Rot. Bonds4

About 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine

2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine (PubChem CID 84710739) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine
PubChem CID84710739
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine
SMILESCC(C)c1nn(C)c(OCCN)c1Br
InChIInChI=1S/C9H16BrN3O/c1-6(2)8-7(10)9(13(3)12-8)14-5-4-11/h6H,4-5,11H2,1-3H3
InChIKeyINXWDQUJKAPPFB-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(diethylamino)ethoxy]-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011388
2-(4-chloro-1,3-dimethylpyrazol-5-yl)oxyethanamine
CID 84662341
5-hexoxy-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66011970
5-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxypentan-1-ol
CID 114216560
1-methyl-3-propan-2-yl-5-(3-pyridin-4-ylpropoxy)pyrazol-4-amine
CID 66012554
5-(4-bromo-3,5-dimethylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 107722643
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
CID 66013530
4-bromo-1-methyl-3-propan-2-ylpyrazole-5-carbonyl chloride
CID 141212943
2-(4-chloro-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyacetic acid
CID 84696237
O-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 79426492
5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66012953
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine?
The IUPAC name of 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine (CID 84710739) is 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine.
What is the SMILES notation for 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine?
The canonical SMILES for 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine is CC(C)c1nn(C)c(OCCN)c1Br.
What is the InChIKey of 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine?
The InChIKey is INXWDQUJKAPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-6(2)8-7(10)9(13(3)12-8)14-5-4-11/h6H,4-5,11H2,1-3H3.
What are the key properties of 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine?
2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine has a molecular weight of 262.15 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methyl-3-propan-2-ylpyrazol-5-yl)oxyethanamine is sourced from PubChem (CID 84710739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).