4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole

C13H15BrN2 — CID 83745555

IUPAC4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole
SMILESCc1ccc(-c2c(Br)c(C)nn2C)c(C)c1
InChIInChI=1S/C13H15BrN2/c1-8-5-6-11(9(2)7-8)13-12(14)10(3)15-16(13)4/h5-7H,1-4H3
InChIKeyIVYLFACKKGLLAS-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.77
Rot. Bonds1

About 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole

4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole (PubChem CID 83745555) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole
PubChem CID83745555
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole
SMILESCc1ccc(-c2c(Br)c(C)nn2C)c(C)c1
InChIInChI=1S/C13H15BrN2/c1-8-5-6-11(9(2)7-8)13-12(14)10(3)15-16(13)4/h5-7H,1-4H3
InChIKeyIVYLFACKKGLLAS-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole (CID 83745555) is 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole is Cc1ccc(-c2c(Br)c(C)nn2C)c(C)c1.
What is the InChIKey of 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole?
The InChIKey is IVYLFACKKGLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-5-6-11(9(2)7-8)13-12(14)10(3)15-16(13)4/h5-7H,1-4H3.
What are the key properties of 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole?
4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole has a molecular weight of 279.18 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,4-dimethylphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 83745555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).