3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine

C11H11BrFN3O — CID 117482985

IUPAC3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(Br)cc(-c2cc(N)n(C)n2)c1F
InChIInChI=1S/C11H11BrFN3O/c1-16-10(14)5-8(15-16)7-3-6(12)4-9(17-2)11(7)13/h3-5H,14H2,1-2H3
InChIKeyIHIPQVWMWNKCSZ-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.58
Rot. Bonds2

About 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine

3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117482985) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117482985
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(Br)cc(-c2cc(N)n(C)n2)c1F
InChIInChI=1S/C11H11BrFN3O/c1-16-10(14)5-8(15-16)7-3-6(12)4-9(17-2)11(7)13/h3-5H,14H2,1-2H3
InChIKeyIHIPQVWMWNKCSZ-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117499168
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117482985) is 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(Br)cc(-c2cc(N)n(C)n2)c1F.
What is the InChIKey of 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is IHIPQVWMWNKCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-10(14)5-8(15-16)7-3-6(12)4-9(17-2)11(7)13/h3-5H,14H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 300.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117482985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).