[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine

C14H18BrN3O — CID 84605977

IUPAC[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1c(Br)c(CN)nn1C
InChIInChI=1S/C14H18BrN3O/c1-8-5-9(2)12(11(6-8)19-4)14-13(15)10(7-16)17-18(14)3/h5-6H,7,16H2,1-4H3
InChIKeyOUXXNJRIZGMGRV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.93
Rot. Bonds3

About [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine

[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 84605977) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID84605977
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1c(Br)c(CN)nn1C
InChIInChI=1S/C14H18BrN3O/c1-8-5-9(2)12(11(6-8)19-4)14-13(15)10(7-16)17-18(14)3/h5-6H,7,16H2,1-4H3
InChIKeyOUXXNJRIZGMGRV-UHFFFAOYSA-N
XLogP2.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine
CID 84604966
4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 116858273
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858674
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147
[4-(2-methoxy-4,6-dimethylphenyl)thiophen-2-yl]methanamine
CID 106681068
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
[4-bromo-5-(4-ethylsulfanylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 84607106
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
4-bromo-5-(2-methoxy-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 116858265

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine (CID 84605977) is [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine is COc1cc(C)cc(C)c1-c1c(Br)c(CN)nn1C.
What is the InChIKey of [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is OUXXNJRIZGMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-8-5-9(2)12(11(6-8)19-4)14-13(15)10(7-16)17-18(14)3/h5-6H,7,16H2,1-4H3.
What are the key properties of [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine?
[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 324.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 84605977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).