4-(bromomethyl)-1-(1-fluoroethyl)pyrazole

C6H8BrFN2 — CID 149268432

IUPAC4-(bromomethyl)-1-(1-fluoroethyl)pyrazole
SMILESCC(F)n1cc(CBr)cn1
InChIInChI=1S/C6H8BrFN2/c1-5(8)10-4-6(2-7)3-9-10/h3-5H,2H2,1H3
InChIKeyXQPCDHPCLREEKI-UHFFFAOYSA-N
MW207.05 g/mol
LogP2.27
Rot. Bonds2

About 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole

4-(bromomethyl)-1-(1-fluoroethyl)pyrazole (PubChem CID 149268432) has the molecular formula C6H8BrFN2 and a molecular weight of 207.05 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1-fluoroethyl)pyrazole
PubChem CID149268432
Molecular FormulaC6H8BrFN2
Molecular Weight207.05 g/mol
Exact Mass205.99
IUPAC Name4-(bromomethyl)-1-(1-fluoroethyl)pyrazole
SMILESCC(F)n1cc(CBr)cn1
InChIInChI=1S/C6H8BrFN2/c1-5(8)10-4-6(2-7)3-9-10/h3-5H,2H2,1H3
InChIKeyXQPCDHPCLREEKI-UHFFFAOYSA-N
XLogP2.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.05
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole?
The IUPAC name of 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole (CID 149268432) is 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole?
The canonical SMILES for 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole is CC(F)n1cc(CBr)cn1.
What is the InChIKey of 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole?
The InChIKey is XQPCDHPCLREEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrFN2/c1-5(8)10-4-6(2-7)3-9-10/h3-5H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole?
4-(bromomethyl)-1-(1-fluoroethyl)pyrazole has a molecular weight of 207.05 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1-fluoroethyl)pyrazole is sourced from PubChem (CID 149268432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).