2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine

C11H12BrN3 — CID 82091925

IUPAC2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C11H12BrN3/c1-7-5-9(12)3-4-10(7)15-11(13)6-8(2)14-15/h3-6H,13H2,1-2H3
InChIKeyJDNWSSANTXOPSN-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine

2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine (PubChem CID 82091925) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
PubChem CID82091925
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C11H12BrN3/c1-7-5-9(12)3-4-10(7)15-11(13)6-8(2)14-15/h3-6H,13H2,1-2H3
InChIKeyJDNWSSANTXOPSN-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

1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
2-(4-bromo-2-methylphenyl)-5-methoxy-1,2,4-triazol-3-amine
CID 104508476
3-(3-bromophenyl)-1-(2,4-dimethylphenyl)pyrazol-5-amine
CID 43436058
2-(4-bromo-2-methylphenyl)triazol-4-amine
CID 104509118
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
1-(4-bromo-2-methylphenyl)-3-N-ethyl-1,2,4-triazole-3,5-diamine
CID 113420709
1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 104509030
1-(4-bromo-2-methylphenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826426
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82307236
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine (CID 82091925) is 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine?
The InChIKey is JDNWSSANTXOPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-5-9(12)3-4-10(7)15-11(13)6-8(2)14-15/h3-6H,13H2,1-2H3.
What are the key properties of 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine?
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-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 2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 82091925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).