1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one

C10H11F3N2O — CID 83861259

IUPAC1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC2=O
InChIInChI=1S/C10H11F3N2O/c1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13/h5H,3-4H2,1-2H3
InChIKeyPIODFDJPXOYVCY-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.61
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one

1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one (PubChem CID 83861259) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
PubChem CID83861259
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCC2=O
InChIInChI=1S/C10H11F3N2O/c1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13/h5H,3-4H2,1-2H3
InChIKeyPIODFDJPXOYVCY-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one (CID 83861259) is 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one is CC(C)n1nc(C(F)(F)F)c2c1CCC2=O.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The InChIKey is PIODFDJPXOYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one?
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one has a molecular weight of 232.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one is sourced from PubChem (CID 83861259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).