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

C11H11BrN2O2 — CID 58432118

IUPAC5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2ccn[nH]2)cc(OC)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-15-9-5-7(8-3-4-13-14-8)6-10(16-2)11(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyLTGAVUPZSDKNML-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.86
Rot. Bonds3

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

5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole (PubChem CID 58432118) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole
PubChem CID58432118
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2ccn[nH]2)cc(OC)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-15-9-5-7(8-3-4-13-14-8)6-10(16-2)11(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyLTGAVUPZSDKNML-UHFFFAOYSA-N
XLogP2.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole (CID 58432118) is 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole is COc1cc(-c2ccn[nH]2)cc(OC)c1Br.
What is the InChIKey of 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole?
The InChIKey is LTGAVUPZSDKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-15-9-5-7(8-3-4-13-14-8)6-10(16-2)11(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole?
5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole has a molecular weight of 283.12 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 58432118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).