4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine

C12H13BrFN3 — CID 117479935

IUPAC4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(F)c(Br)c(-c2cnn(C)c2N)c1C
InChIInChI=1S/C12H13BrFN3/c1-6-4-9(14)11(13)10(7(6)2)8-5-16-17(3)12(8)15/h4-5H,15H2,1-3H3
InChIKeyDVEFHTQVLUKWMU-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.19
Rot. Bonds1

About 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine

4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117479935) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID117479935
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(F)c(Br)c(-c2cnn(C)c2N)c1C
InChIInChI=1S/C12H13BrFN3/c1-6-4-9(14)11(13)10(7(6)2)8-5-16-17(3)12(8)15/h4-5H,15H2,1-3H3
InChIKeyDVEFHTQVLUKWMU-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
CID 115112480
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine (CID 117479935) is 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine is Cc1cc(F)c(Br)c(-c2cnn(C)c2N)c1C.
What is the InChIKey of 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is DVEFHTQVLUKWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-6-4-9(14)11(13)10(7(6)2)8-5-16-17(3)12(8)15/h4-5H,15H2,1-3H3.
What are the key properties of 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine?
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 298.16 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117479935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).