4-bromo-1-(2-methoxyethyl)pyrazole

C6H9BrN2O — CID 23247855

IUPAC4-bromo-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1cc(Br)cn1
InChIInChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKeySJIMZWZHTDHXRI-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.29
Rot. Bonds3

About 4-bromo-1-(2-methoxyethyl)pyrazole

4-bromo-1-(2-methoxyethyl)pyrazole (PubChem CID 23247855) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)pyrazole
PubChem CID23247855
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name4-bromo-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1cc(Br)cn1
InChIInChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
InChIKeySJIMZWZHTDHXRI-UHFFFAOYSA-N
XLogP1.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-(2-methoxyethyl)pyrazol-4-yl]methanethiol
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2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
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4-cyclopropyl-1-(2-methoxyethyl)pyrazole
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4-bromo-1-[2-(4-fluorophenoxy)ethyl]pyrazole
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N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
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CID 144516291
4-bromo-1-(3-chloropropyl)pyrazole
CID 61036423
3-(4-bromopyrazol-1-yl)propylazanium
CID 7019325
1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 145022478
4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)pyrazole (CID 23247855) is 4-bromo-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)pyrazole is COCCn1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)pyrazole?
The InChIKey is SJIMZWZHTDHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)pyrazole?
4-bromo-1-(2-methoxyethyl)pyrazole has a molecular weight of 205.05 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 23247855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).