3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

C12H13BrFN3O — CID 117499176

IUPAC3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(F)c(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H13BrFN3O/c1-6-4-7(14)11(13)10(12(6)18-3)8-5-9(15)17(2)16-8/h4-5H,15H2,1-3H3
InChIKeyGWMVHRXMLSTVMF-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.89
Rot. Bonds2

About 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117499176) has the molecular formula C12H13BrFN3O and a molecular weight of 314.16 g/mol. Its IUPAC name is 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117499176
Molecular FormulaC12H13BrFN3O
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(F)c(Br)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H13BrFN3O/c1-6-4-7(14)11(13)10(12(6)18-3)8-5-9(15)17(2)16-8/h4-5H,15H2,1-3H3
InChIKeyGWMVHRXMLSTVMF-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831
3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine
CID 117496199
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117459276

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (CID 117499176) is 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is COc1c(C)cc(F)c(Br)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GWMVHRXMLSTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O/c1-6-4-7(14)11(13)10(12(6)18-3)8-5-9(15)17(2)16-8/h4-5H,15H2,1-3H3.
What are the key properties of 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 314.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117499176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).