3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine

C11H11Br2N3O2 — CID 103079192

IUPAC3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
SMILESCOc1cc(Br)c(Oc2nn(C)cc2N)cc1Br
InChIInChI=1S/C11H11Br2N3O2/c1-16-5-8(14)11(15-16)18-10-4-6(12)9(17-2)3-7(10)13/h3-5H,14H2,1-2H3
InChIKeyMOHYCGNYEPMJIY-UHFFFAOYSA-N
MW377.04 g/mol
LogP3.33
Rot. Bonds3

About 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine

3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine (PubChem CID 103079192) has the molecular formula C11H11Br2N3O2 and a molecular weight of 377.04 g/mol. Its IUPAC name is 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
PubChem CID103079192
Molecular FormulaC11H11Br2N3O2
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC Name3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
SMILESCOc1cc(Br)c(Oc2nn(C)cc2N)cc1Br
InChIInChI=1S/C11H11Br2N3O2/c1-16-5-8(14)11(15-16)18-10-4-6(12)9(17-2)3-7(10)13/h3-5H,14H2,1-2H3
InChIKeyMOHYCGNYEPMJIY-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
CID 103079177
3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
CID 103079086
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
CID 103079208
3,4-bis(2-bromo-4,5-dimethoxyphenyl)-1-methylpyrazole
CID 10553787
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine (CID 103079192) is 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine is COc1cc(Br)c(Oc2nn(C)cc2N)cc1Br.
What is the InChIKey of 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine?
The InChIKey is MOHYCGNYEPMJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2/c1-16-5-8(14)11(15-16)18-10-4-6(12)9(17-2)3-7(10)13/h3-5H,14H2,1-2H3.
What are the key properties of 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine?
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine has a molecular weight of 377.04 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).