3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one

C7H5F3N2O — CID 83861318

IUPAC3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
SMILESO=C1CCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)6-5-3(11-12-6)1-2-4(5)13/h1-2H2,(H,11,12)
InChIKeyWYSIWZCOGPXXBT-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.56
Rot. Bonds

About 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one

3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one (PubChem CID 83861318) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
PubChem CID83861318
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
SMILESO=C1CCc2[nH]nc(C(F)(F)F)c21
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)6-5-3(11-12-6)1-2-4(5)13/h1-2H2,(H,11,12)
InChIKeyWYSIWZCOGPXXBT-UHFFFAOYSA-N
XLogP1.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The IUPAC name of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one (CID 83861318) is 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one.
What is the SMILES notation for 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The canonical SMILES for 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one is O=C1CCc2[nH]nc(C(F)(F)F)c21.
What is the InChIKey of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The InChIKey is WYSIWZCOGPXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)6-5-3(11-12-6)1-2-4(5)13/h1-2H2,(H,11,12).
What are the key properties of 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one has a molecular weight of 190.12 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one is sourced from PubChem (CID 83861318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).