2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol

C12H14BrN3O — CID 117477176

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
SMILESCCc1cc(Br)c(O)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C12H14BrN3O/c1-3-7-4-8(11(17)10(13)5-7)9-6-15-16(2)12(9)14/h4-6,17H,3,14H2,1-2H3
InChIKeyWAYQSYDLDGQUQB-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.70
Rot. Bonds2

About 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol

2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol (PubChem CID 117477176) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
PubChem CID117477176
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
SMILESCCc1cc(Br)c(O)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C12H14BrN3O/c1-3-7-4-8(11(17)10(13)5-7)9-6-15-16(2)12(9)14/h4-6,17H,3,14H2,1-2H3
InChIKeyWAYQSYDLDGQUQB-UHFFFAOYSA-N
XLogP2.70
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
CID 117479931
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-propan-2-ylphenol
CID 117494973
2-(5-amino-1-methylpyrazol-3-yl)-6-bromo-4-ethylphenol
CID 137003447
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
6-(5-amino-1-methylpyrazol-4-yl)-4-bromo-2-methoxy-3-methylphenol
CID 117496885
4-(5-amino-1-methylpyrazol-4-yl)-2-bromo-6-methylphenol
CID 117453163
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
4-(5-ethyl-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117360841
4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol (CID 117477176) is 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol is CCc1cc(Br)c(O)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol?
The InChIKey is WAYQSYDLDGQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-3-7-4-8(11(17)10(13)5-7)9-6-15-16(2)12(9)14/h4-6,17H,3,14H2,1-2H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol has a molecular weight of 296.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol is sourced from PubChem (CID 117477176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).