1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine

C11H12BrN3 — CID 39365314

IUPAC1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1N
InChIInChI=1S/C11H12BrN3/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3
InChIKeyZYBNTKXOXUOPRE-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.83
Rot. Bonds1

About 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine

1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 39365314) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
PubChem CID39365314
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1N
InChIInChI=1S/C11H12BrN3/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3
InChIKeyZYBNTKXOXUOPRE-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
CID 39247651
1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39375121
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758
1-[4-bromo-2-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-amine
CID 65484801
propan-2-yl 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzoate
CID 50889004
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280
1-(3-bromo-4-pyridinyl)-3,5-dimethylpyrazol-4-amine
CID 104777827
1-(4-bromophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381361
3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-amine
CID 115375116
ethyl 2-[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 62085800
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 62128723
2-(4-bromophenyl)-4-methylphthalazin-1-one
CID 755477

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine (CID 39365314) is 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine is Cc1nn(-c2ccc(Br)cc2)c(C)c1N.
What is the InChIKey of 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is ZYBNTKXOXUOPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10/h3-6H,13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine?
1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 266.14 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 39365314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).