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

C12H13BrN2 — CID 82091650

IUPAC1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
SMILESCc1ccc(-n2nc(C)cc2C)c(Br)c1
InChIInChI=1S/C12H13BrN2/c1-8-4-5-12(11(13)6-8)15-10(3)7-9(2)14-15/h4-7H,1-3H3
InChIKeyYPPZYRSTEOIVRT-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.56
Rot. Bonds1

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

1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole (PubChem CID 82091650) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
PubChem CID82091650
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole
SMILESCc1ccc(-n2nc(C)cc2C)c(Br)c1
InChIInChI=1S/C12H13BrN2/c1-8-4-5-12(11(13)6-8)15-10(3)7-9(2)14-15/h4-7H,1-3H3
InChIKeyYPPZYRSTEOIVRT-UHFFFAOYSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82094448
4-(2-bromo-4-methylphenyl)-1,2,4-triazole
CID 84700533
1-(5-bromo-2-methylphenyl)-3,5-dimethylpyrazole
CID 130121149
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 82970956
1-[4-(bromomethyl)-2-methylphenyl]-3,5-dimethylpyrazole
CID 106765700
5-bromo-2-(3,5-dimethylpyrazol-1-yl)benzenecarbothioamide
CID 114892139
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
1-(2,4-dibromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421500
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole (CID 82091650) is 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole is Cc1ccc(-n2nc(C)cc2C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole?
The InChIKey is YPPZYRSTEOIVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-8-4-5-12(11(13)6-8)15-10(3)7-9(2)14-15/h4-7H,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole?
1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole has a molecular weight of 265.15 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 82091650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).