[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine

C15H20BrN3O — CID 84611620

IUPAC[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2nn(C)c(CN)c2Br)cc1C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)11-7-10(5-6-13(11)20-4)15-14(16)12(8-17)19(3)18-15/h5-7,9H,8,17H2,1-4H3
InChIKeyUBKXRAQXGHAFAZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.44
Rot. Bonds4

About [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine

[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine (PubChem CID 84611620) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
PubChem CID84611620
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2nn(C)c(CN)c2Br)cc1C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)11-7-10(5-6-13(11)20-4)15-14(16)12(8-17)19(3)18-15/h5-7,9H,8,17H2,1-4H3
InChIKeyUBKXRAQXGHAFAZ-UHFFFAOYSA-N
XLogP3.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-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

[5-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-3-methylimidazol-4-yl]methanamine
CID 84611572
[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84605964
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
[4-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605901
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
5-(aminomethyl)-6-(3-bromo-4-methoxyphenyl)-2-methylpyridazin-3-one
CID 84605771
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858418
4-bromo-3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858402
5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
CID 116868801

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine?
The IUPAC name of [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine (CID 84611620) is [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine is COc1ccc(-c2nn(C)c(CN)c2Br)cc1C(C)C.
What is the InChIKey of [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine?
The InChIKey is UBKXRAQXGHAFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(2)11-7-10(5-6-13(11)20-4)15-14(16)12(8-17)19(3)18-15/h5-7,9H,8,17H2,1-4H3.
What are the key properties of [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine?
[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine has a molecular weight of 338.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 84611620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).