4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C12H14BrN3O — CID 117477168

IUPAC4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(Br)cc1-c1cnn(C)c1N
InChIInChI=1S/C12H14BrN3O/c1-16-12(14)11(6-15-16)10-5-9(13)4-3-8(10)7-17-2/h3-6H,7,14H2,1-2H3
InChIKeyLFQLQCYOQFRLTA-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.58
Rot. Bonds3

About 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117477168) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117477168
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(Br)cc1-c1cnn(C)c1N
InChIInChI=1S/C12H14BrN3O/c1-16-12(14)11(6-15-16)10-5-9(13)4-3-8(10)7-17-2/h3-6H,7,14H2,1-2H3
InChIKeyLFQLQCYOQFRLTA-UHFFFAOYSA-N
XLogP2.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(methoxymethyl)-1-methylpyrazol-5-amine
CID 84648635
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
3-(5-amino-1-methylpyrazol-4-yl)-5-bromobenzene-1,2-diol
CID 117456733
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444289
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine
CID 117407761
5-[5-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496616
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117477168) is 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1ccc(Br)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is LFQLQCYOQFRLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-12(14)11(6-15-16)10-5-9(13)4-3-8(10)7-17-2/h3-6H,7,14H2,1-2H3.
What are the key properties of 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 296.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117477168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).