3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine

C10H9BrClN3O — CID 103079063

IUPAC3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H9BrClN3O/c1-15-5-8(13)10(14-15)16-9-3-2-6(12)4-7(9)11/h2-5H,13H2,1H3
InChIKeyWFIWUIBBGDUCSL-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.21
Rot. Bonds2

About 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine

3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine (PubChem CID 103079063) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
PubChem CID103079063
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H9BrClN3O/c1-15-5-8(13)10(14-15)16-9-3-2-6(12)4-7(9)11/h2-5H,13H2,1H3
InChIKeyWFIWUIBBGDUCSL-UHFFFAOYSA-N
XLogP3.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
CID 103079177
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
6-(2-bromo-4-chlorophenoxy)-5-chloropyridin-3-amine
CID 114046372
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
CID 103079208
3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
CID 102987884
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine (CID 103079063) is 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine is Cn1cc(N)c(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine?
The InChIKey is WFIWUIBBGDUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-15-5-8(13)10(14-15)16-9-3-2-6(12)4-7(9)11/h2-5H,13H2,1H3.
What are the key properties of 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine?
3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine has a molecular weight of 302.56 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).