3-bromo-1-(4-methoxyphenyl)pyrazole

C10H9BrN2O — CID 84707783

IUPAC3-bromo-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2ccc(Br)n2)cc1
InChIInChI=1S/C10H9BrN2O/c1-14-9-4-2-8(3-5-9)13-7-6-10(11)12-13/h2-7H,1H3
InChIKeyZJZMVTXQXMXNED-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.64
Rot. Bonds2

About 3-bromo-1-(4-methoxyphenyl)pyrazole

3-bromo-1-(4-methoxyphenyl)pyrazole (PubChem CID 84707783) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name3-bromo-1-(4-methoxyphenyl)pyrazole
PubChem CID84707783
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name3-bromo-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2ccc(Br)n2)cc1
InChIInChI=1S/C10H9BrN2O/c1-14-9-4-2-8(3-5-9)13-7-6-10(11)12-13/h2-7H,1H3
InChIKeyZJZMVTXQXMXNED-UHFFFAOYSA-N
XLogP2.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 3-bromo-1-(4-methoxyphenyl)pyrazole (CID 84707783) is 3-bromo-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 3-bromo-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 3-bromo-1-(4-methoxyphenyl)pyrazole is COc1ccc(-n2ccc(Br)n2)cc1.
What is the InChIKey of 3-bromo-1-(4-methoxyphenyl)pyrazole?
The InChIKey is ZJZMVTXQXMXNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-14-9-4-2-8(3-5-9)13-7-6-10(11)12-13/h2-7H,1H3.
What are the key properties of 3-bromo-1-(4-methoxyphenyl)pyrazole?
3-bromo-1-(4-methoxyphenyl)pyrazole has a molecular weight of 253.10 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 84707783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).