1-bromo-4-methoxypyrazole

C4H5BrN2O — CID 145425644

IUPAC1-bromo-4-methoxypyrazole
SMILESCOc1cnn(Br)c1
InChIInChI=1S/C4H5BrN2O/c1-8-4-2-6-7(5)3-4/h2-3H,1H3
InChIKeyHGZLZPBSWJJBDK-UHFFFAOYSA-N
MW177.00 g/mol
LogP1.05
Rot. Bonds1

About 1-bromo-4-methoxypyrazole

1-bromo-4-methoxypyrazole (PubChem CID 145425644) has the molecular formula C4H5BrN2O and a molecular weight of 177.00 g/mol. Its IUPAC name is 1-bromo-4-methoxypyrazole.

Molecular Properties

Compound Name1-bromo-4-methoxypyrazole
PubChem CID145425644
Molecular FormulaC4H5BrN2O
Molecular Weight177.00 g/mol
Exact Mass175.96
IUPAC Name1-bromo-4-methoxypyrazole
SMILESCOc1cnn(Br)c1
InChIInChI=1S/C4H5BrN2O/c1-8-4-2-6-7(5)3-4/h2-3H,1H3
InChIKeyHGZLZPBSWJJBDK-UHFFFAOYSA-N
XLogP1.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxypyrazole?
The IUPAC name of 1-bromo-4-methoxypyrazole (CID 145425644) is 1-bromo-4-methoxypyrazole.
What is the SMILES notation for 1-bromo-4-methoxypyrazole?
The canonical SMILES for 1-bromo-4-methoxypyrazole is COc1cnn(Br)c1.
What is the InChIKey of 1-bromo-4-methoxypyrazole?
The InChIKey is HGZLZPBSWJJBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O/c1-8-4-2-6-7(5)3-4/h2-3H,1H3.
What are the key properties of 1-bromo-4-methoxypyrazole?
1-bromo-4-methoxypyrazole has a molecular weight of 177.00 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxypyrazole is sourced from PubChem (CID 145425644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).