3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine

C11H11BrFN3O — CID 117482991

IUPAC3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(C)n2)c(F)c1Br
InChIInChI=1S/C11H11BrFN3O/c1-16-9(14)5-7(15-16)6-3-4-8(17-2)10(12)11(6)13/h3-5H,14H2,1-2H3
InChIKeyJEYVZNPICNUQHV-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.58
Rot. Bonds2

About 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine

3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117482991) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117482991
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(C)n2)c(F)c1Br
InChIInChI=1S/C11H11BrFN3O/c1-16-9(14)5-7(15-16)6-3-4-8(17-2)10(12)11(6)13/h3-5H,14H2,1-2H3
InChIKeyJEYVZNPICNUQHV-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-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444295
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
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-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117482991) is 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine is COc1ccc(-c2cc(N)n(C)n2)c(F)c1Br.
What is the InChIKey of 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is JEYVZNPICNUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-9(14)5-7(15-16)6-3-4-8(17-2)10(12)11(6)13/h3-5H,14H2,1-2H3.
What are the key properties of 3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(3-bromo-2-fluoro-4-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-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117482991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).