4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole

C12H12BrFN2O — CID 67074194

IUPAC4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C12H12BrFN2O/c1-17-7-6-16-12(11(13)8-15-16)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyORJSSKXTDFOWLM-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.10
Rot. Bonds4

About 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole

4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole (PubChem CID 67074194) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole
PubChem CID67074194
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1-c1ccc(F)cc1
InChIInChI=1S/C12H12BrFN2O/c1-17-7-6-16-12(11(13)8-15-16)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyORJSSKXTDFOWLM-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole (CID 67074194) is 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole is COCCn1ncc(Br)c1-c1ccc(F)cc1.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole?
The InChIKey is ORJSSKXTDFOWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-17-7-6-16-12(11(13)8-15-16)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole?
4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole has a molecular weight of 299.14 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 67074194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).