2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one

C12H9FN2O — CID 83886979

IUPAC2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
SMILESO=C1CCc2cn(-c3ccccc3F)nc21
InChIInChI=1S/C12H9FN2O/c13-9-3-1-2-4-10(9)15-7-8-5-6-11(16)12(8)14-15/h1-4,7H,5-6H2
InChIKeyBDVKEMRKYPUFGU-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.14
Rot. Bonds1

About 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one

2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one (PubChem CID 83886979) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
PubChem CID83886979
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
SMILESO=C1CCc2cn(-c3ccccc3F)nc21
InChIInChI=1S/C12H9FN2O/c13-9-3-1-2-4-10(9)15-7-8-5-6-11(16)12(8)14-15/h1-4,7H,5-6H2
InChIKeyBDVKEMRKYPUFGU-UHFFFAOYSA-N
XLogP2.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
The IUPAC name of 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one (CID 83886979) is 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
The canonical SMILES for 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one is O=C1CCc2cn(-c3ccccc3F)nc21.
What is the InChIKey of 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
The InChIKey is BDVKEMRKYPUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-9-3-1-2-4-10(9)15-7-8-5-6-11(16)12(8)14-15/h1-4,7H,5-6H2.
What are the key properties of 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one has a molecular weight of 216.22 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one is sourced from PubChem (CID 83886979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).