4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine

C12H13BrFN3O — CID 117499160

IUPAC4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc(Br)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H13BrFN3O/c1-6-8(13)4-9(14)11(18-3)10(6)7-5-16-17(2)12(7)15/h4-5H,15H2,1-3H3
InChIKeyWNCXCJNDBMCYJD-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.89
Rot. Bonds2

About 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine

4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117499160) has the molecular formula C12H13BrFN3O and a molecular weight of 314.16 g/mol. Its IUPAC name is 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117499160
Molecular FormulaC12H13BrFN3O
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc(Br)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H13BrFN3O/c1-6-8(13)4-9(14)11(18-3)10(6)7-5-16-17(2)12(7)15/h4-5H,15H2,1-3H3
InChIKeyWNCXCJNDBMCYJD-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

4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
CID 117496885
4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117477177
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418562
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine (CID 117499160) is 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine is COc1c(F)cc(Br)c(C)c1-c1cnn(C)c1N.
What is the InChIKey of 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is WNCXCJNDBMCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O/c1-6-8(13)4-9(14)11(18-3)10(6)7-5-16-17(2)12(7)15/h4-5H,15H2,1-3H3.
What are the key properties of 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
4-(5-bromo-3-fluoro-2-methoxy-6-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 4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117499160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).