4-bromo-1-(1-ethoxyethyl)pyrazole

C7H11BrN2O — CID 4640410

IUPAC4-bromo-1-(1-ethoxyethyl)pyrazole
SMILESCCOC(C)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChIKeyDZXRSNUJYPTUFF-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.20
Rot. Bonds3

About 4-bromo-1-(1-ethoxyethyl)pyrazole

4-bromo-1-(1-ethoxyethyl)pyrazole (PubChem CID 4640410) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 4-bromo-1-(1-ethoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(1-ethoxyethyl)pyrazole
PubChem CID4640410
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name4-bromo-1-(1-ethoxyethyl)pyrazole
SMILESCCOC(C)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
InChIKeyDZXRSNUJYPTUFF-UHFFFAOYSA-N
XLogP2.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1-ethoxyethyl)pyrazole?
The IUPAC name of 4-bromo-1-(1-ethoxyethyl)pyrazole (CID 4640410) is 4-bromo-1-(1-ethoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(1-ethoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-1-(1-ethoxyethyl)pyrazole is CCOC(C)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(1-ethoxyethyl)pyrazole?
The InChIKey is DZXRSNUJYPTUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3.
What are the key properties of 4-bromo-1-(1-ethoxyethyl)pyrazole?
4-bromo-1-(1-ethoxyethyl)pyrazole has a molecular weight of 219.08 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1-ethoxyethyl)pyrazole is sourced from PubChem (CID 4640410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).