4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine

C14H18BrN3O — CID 84605999

IUPAC4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(-c2nn(C)c(N)c2Br)c(C)c1C
InChIInChI=1S/C14H18BrN3O/c1-7-6-10(8(2)9(3)13(7)19-5)12-11(15)14(16)18(4)17-12/h6H,16H2,1-5H3
InChIKeyGFKWGWVEPFCZTQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.37
Rot. Bonds2

About 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine

4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 84605999) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID84605999
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(-c2nn(C)c(N)c2Br)c(C)c1C
InChIInChI=1S/C14H18BrN3O/c1-7-6-10(8(2)9(3)13(7)19-5)12-11(15)14(16)18(4)17-12/h6H,16H2,1-5H3
InChIKeyGFKWGWVEPFCZTQ-UHFFFAOYSA-N
XLogP3.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-oxazol-2-amine
CID 82289646
2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864215
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
CID 84611020
4-bromo-5-(2-methoxy-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 116858265
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
3-(2,4-difluoro-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 113396503
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
6-(5-amino-4-bromo-1-methylpyrazol-3-yl)-4H-1,4-benzoxazin-3-one
CID 84605322

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine (CID 84605999) is 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine is COc1c(C)cc(-c2nn(C)c(N)c2Br)c(C)c1C.
What is the InChIKey of 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GFKWGWVEPFCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-7-6-10(8(2)9(3)13(7)19-5)12-11(15)14(16)18(4)17-12/h6H,16H2,1-5H3.
What are the key properties of 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine?
4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 324.22 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-methoxy-2,3,5-trimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 84605999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).