1-(2-fluoroethyl)pyrazole

C5H7FN2 — CID 18426098

IUPAC1-(2-fluoroethyl)pyrazole
SMILESFCCn1cccn1
InChIInChI=1S/C5H7FN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKeyFDFBQSXPKJXUMC-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.85
Rot. Bonds2

About 1-(2-fluoroethyl)pyrazole

1-(2-fluoroethyl)pyrazole (PubChem CID 18426098) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrazole
PubChem CID18426098
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name1-(2-fluoroethyl)pyrazole
SMILESFCCn1cccn1
InChIInChI=1S/C5H7FN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChIKeyFDFBQSXPKJXUMC-UHFFFAOYSA-N
XLogP0.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)pyrazole (CID 18426098) is 1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)pyrazole is FCCn1cccn1.
What is the InChIKey of 1-(2-fluoroethyl)pyrazole?
The InChIKey is FDFBQSXPKJXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2.
What are the key properties of 1-(2-fluoroethyl)pyrazole?
1-(2-fluoroethyl)pyrazole has a molecular weight of 114.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 18426098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).