1-(4-bromo-3,5-dimethoxyphenyl)pyrazole

C11H11BrN2O2 — CID 150589649

IUPAC1-(4-bromo-3,5-dimethoxyphenyl)pyrazole
SMILESCOc1cc(-n2cccn2)cc(OC)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-15-9-6-8(14-5-3-4-13-14)7-10(16-2)11(9)12/h3-7H,1-2H3
InChIKeyIPPCQWWVADCGMG-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.65
Rot. Bonds3

About 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole

1-(4-bromo-3,5-dimethoxyphenyl)pyrazole (PubChem CID 150589649) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethoxyphenyl)pyrazole
PubChem CID150589649
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Name1-(4-bromo-3,5-dimethoxyphenyl)pyrazole
SMILESCOc1cc(-n2cccn2)cc(OC)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-15-9-6-8(14-5-3-4-13-14)7-10(16-2)11(9)12/h3-7H,1-2H3
InChIKeyIPPCQWWVADCGMG-UHFFFAOYSA-N
XLogP2.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole?
The IUPAC name of 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole (CID 150589649) is 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole.
What is the SMILES notation for 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole?
The canonical SMILES for 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole is COc1cc(-n2cccn2)cc(OC)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole?
The InChIKey is IPPCQWWVADCGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-15-9-6-8(14-5-3-4-13-14)7-10(16-2)11(9)12/h3-7H,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole?
1-(4-bromo-3,5-dimethoxyphenyl)pyrazole has a molecular weight of 283.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethoxyphenyl)pyrazole is sourced from PubChem (CID 150589649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).