4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine

C11H12BrN3 — CID 83913416

IUPAC4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(C)cc(-c2[nH]nc(N)c2Br)c1
InChIInChI=1S/C11H12BrN3/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyWCYVCCMWZQXDLF-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.04
Rot. Bonds1

About 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine

4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 83913416) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
PubChem CID83913416
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(C)cc(-c2[nH]nc(N)c2Br)c1
InChIInChI=1S/C11H12BrN3/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyWCYVCCMWZQXDLF-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104853091
4-bromo-5-(4-ethylsulfonylphenyl)-1H-pyrazol-3-amine
CID 84608772
5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
CID 107988567
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81316434
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 107962702
5-(4-bromo-2-methylphenyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine (CID 83913416) is 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine is Cc1cc(C)cc(-c2[nH]nc(N)c2Br)c1.
What is the InChIKey of 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is WCYVCCMWZQXDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-6-3-7(2)5-8(4-6)10-9(12)11(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine?
4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 83913416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).