3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine

C10H9Br2N3O — CID 103079177

IUPAC3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C10H9Br2N3O/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12/h2-5H,13H2,1H3
InChIKeyGKWLZJLZGSSFQP-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.32
Rot. Bonds2

About 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine

3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine (PubChem CID 103079177) has the molecular formula C10H9Br2N3O and a molecular weight of 347.01 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
PubChem CID103079177
Molecular FormulaC10H9Br2N3O
Molecular Weight347.01 g/mol
Exact Mass344.91
IUPAC Name3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C10H9Br2N3O/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12/h2-5H,13H2,1H3
InChIKeyGKWLZJLZGSSFQP-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
CID 103079208
3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
CID 103079210
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
2,3,5-trichloro-6-(2,4-dibromophenoxy)pyridine
CID 102749707
2-chloro-3-(2,4-dibromophenoxy)pyrazine
CID 64719536
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
5-(2,4-dibromophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012891
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine (CID 103079177) is 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine is Cn1cc(N)c(Oc2ccc(Br)cc2Br)n1.
What is the InChIKey of 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine?
The InChIKey is GKWLZJLZGSSFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O/c1-15-5-8(13)10(14-15)16-9-3-2-6(11)4-7(9)12/h2-5H,13H2,1H3.
What are the key properties of 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine?
3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine has a molecular weight of 347.01 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).