3-(3-bromophenoxy)-1-methylpyrazol-4-amine

C10H10BrN3O — CID 103079054

IUPAC3-(3-bromophenoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H10BrN3O/c1-14-6-9(12)10(13-14)15-8-4-2-3-7(11)5-8/h2-6H,12H2,1H3
InChIKeyMFDFSIGORDYHBD-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.56
Rot. Bonds2

About 3-(3-bromophenoxy)-1-methylpyrazol-4-amine

3-(3-bromophenoxy)-1-methylpyrazol-4-amine (PubChem CID 103079054) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromophenoxy)-1-methylpyrazol-4-amine
PubChem CID103079054
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-(3-bromophenoxy)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H10BrN3O/c1-14-6-9(12)10(13-14)15-8-4-2-3-7(11)5-8/h2-6H,12H2,1H3
InChIKeyMFDFSIGORDYHBD-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.56
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-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
2-(3-bromophenoxy)-6-chloropyridin-3-amine
CID 115474432
4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 130434589
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
CID 103079210

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(3-bromophenoxy)-1-methylpyrazol-4-amine (CID 103079054) is 3-(3-bromophenoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(3-bromophenoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(3-bromophenoxy)-1-methylpyrazol-4-amine is Cn1cc(N)c(Oc2cccc(Br)c2)n1.
What is the InChIKey of 3-(3-bromophenoxy)-1-methylpyrazol-4-amine?
The InChIKey is MFDFSIGORDYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-14-6-9(12)10(13-14)15-8-4-2-3-7(11)5-8/h2-6H,12H2,1H3.
What are the key properties of 3-(3-bromophenoxy)-1-methylpyrazol-4-amine?
3-(3-bromophenoxy)-1-methylpyrazol-4-amine has a molecular weight of 268.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).