3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine

C12H15BrN4 — CID 107571372

IUPAC3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine
SMILESCc1cc(Nc2nn(C)cc2N)cc(C)c1Br
InChIInChI=1S/C12H15BrN4/c1-7-4-9(5-8(2)11(7)13)15-12-10(14)6-17(3)16-12/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyLJMRMEZOMULUJJ-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.13
Rot. Bonds2

About 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine

3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine (PubChem CID 107571372) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine
PubChem CID107571372
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine
SMILESCc1cc(Nc2nn(C)cc2N)cc(C)c1Br
InChIInChI=1S/C12H15BrN4/c1-7-4-9(5-8(2)11(7)13)15-12-10(14)6-17(3)16-12/h4-6H,14H2,1-3H3,(H,15,16)
InChIKeyLJMRMEZOMULUJJ-UHFFFAOYSA-N
XLogP3.13
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
CID 103078765
1-methyl-3-N-(3-phenoxyphenyl)pyrazole-3,4-diamine
CID 103078319
3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103077980
4-N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107580700
3-N-tert-butyl-1-methylpyrazole-3,4-diamine
CID 103077897
3-N-(4-ethoxy-3-fluorophenyl)-1-methylpyrazole-3,4-diamine
CID 103078820
N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 107581024
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine (CID 107571372) is 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine is Cc1cc(Nc2nn(C)cc2N)cc(C)c1Br.
What is the InChIKey of 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is LJMRMEZOMULUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-7-4-9(5-8(2)11(7)13)15-12-10(14)6-17(3)16-12/h4-6H,14H2,1-3H3,(H,15,16).
What are the key properties of 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine?
3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 295.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 107571372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).