6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol

C12H14BrN3O2 — CID 117496885

IUPAC6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(-c2cnn(C)c2N)c1O
InChIInChI=1S/C12H14BrN3O2/c1-6-9(13)4-7(10(17)11(6)18-3)8-5-15-16(2)12(8)14/h4-5,17H,14H2,1-3H3
InChIKeyMEJUEONMCULPJR-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.45
Rot. Bonds2

About 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol

6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol (PubChem CID 117496885) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
PubChem CID117496885
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
SMILESCOc1c(C)c(Br)cc(-c2cnn(C)c2N)c1O
InChIInChI=1S/C12H14BrN3O2/c1-6-9(13)4-7(10(17)11(6)18-3)8-5-15-16(2)12(8)14/h4-5,17H,14H2,1-3H3
InChIKeyMEJUEONMCULPJR-UHFFFAOYSA-N
XLogP2.45
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-6-bromo-4-ethylphenol
CID 117477176
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
CID 117494973
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
2-(5-amino-1-methylpyrazol-4-yl)-4-bromo-3,5,6-trimethylphenol
CID 115112480

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol?
The IUPAC name of 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol (CID 117496885) is 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol is COc1c(C)c(Br)cc(-c2cnn(C)c2N)c1O.
What is the InChIKey of 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol?
The InChIKey is MEJUEONMCULPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-6-9(13)4-7(10(17)11(6)18-3)8-5-15-16(2)12(8)14/h4-5,17H,14H2,1-3H3.
What are the key properties of 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol?
6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol has a molecular weight of 312.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol is sourced from PubChem (CID 117496885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).