5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one

C10H15FN2O — CID 166263440

IUPAC5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one
SMILESO=C1CC(C2CCCC2)=NN1CCF
InChIInChI=1S/C10H15FN2O/c11-5-6-13-10(14)7-9(12-13)8-3-1-2-4-8/h8H,1-7H2
InChIKeyVCFHAZPONJBYAE-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.73
Rot. Bonds3

About 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one

5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one (PubChem CID 166263440) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one
PubChem CID166263440
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one
SMILESO=C1CC(C2CCCC2)=NN1CCF
InChIInChI=1S/C10H15FN2O/c11-5-6-13-10(14)7-9(12-13)8-3-1-2-4-8/h8H,1-7H2
InChIKeyVCFHAZPONJBYAE-UHFFFAOYSA-N
XLogP1.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one (CID 166263440) is 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one is O=C1CC(C2CCCC2)=NN1CCF.
What is the InChIKey of 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one?
The InChIKey is VCFHAZPONJBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c11-5-6-13-10(14)7-9(12-13)8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one?
5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one has a molecular weight of 198.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(2-fluoroethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 166263440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).