4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole

C11H10BrClN2 — CID 83746918

IUPAC4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
SMILESCc1c(Br)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C11H10BrClN2/c1-7-10(12)11(14-15(7)2)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeyGSZGJUUODRWGBV-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.81
Rot. Bonds1

About 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole

4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole (PubChem CID 83746918) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
PubChem CID83746918
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
SMILESCc1c(Br)c(-c2ccc(Cl)cc2)nn1C
InChIInChI=1S/C11H10BrClN2/c1-7-10(12)11(14-15(7)2)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKeyGSZGJUUODRWGBV-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole?
The IUPAC name of 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole (CID 83746918) is 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole is Cc1c(Br)c(-c2ccc(Cl)cc2)nn1C.
What is the InChIKey of 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole?
The InChIKey is GSZGJUUODRWGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c1-7-10(12)11(14-15(7)2)8-3-5-9(13)6-4-8/h3-6H,1-2H3.
What are the key properties of 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole?
4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole has a molecular weight of 285.57 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole is sourced from PubChem (CID 83746918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).