5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one

C10H14F3N3O — CID 146485610

IUPAC5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CCNCC2)[nH]n1C(F)(F)CF
InChIInChI=1S/C10H14F3N3O/c11-6-10(12,13)16-9(17)5-8(15-16)7-1-3-14-4-2-7/h5,7,14-15H,1-4,6H2
InChIKeyFKWRREBLBDSTMQ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.16
Rot. Bonds3

About 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one

5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one (PubChem CID 146485610) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one
PubChem CID146485610
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CCNCC2)[nH]n1C(F)(F)CF
InChIInChI=1S/C10H14F3N3O/c11-6-10(12,13)16-9(17)5-8(15-16)7-1-3-14-4-2-7/h5,7,14-15H,1-4,6H2
InChIKeyFKWRREBLBDSTMQ-UHFFFAOYSA-N
XLogP1.16
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one (CID 146485610) is 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one is O=c1cc(C2CCNCC2)[nH]n1C(F)(F)CF.
What is the InChIKey of 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one?
The InChIKey is FKWRREBLBDSTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-6-10(12,13)16-9(17)5-8(15-16)7-1-3-14-4-2-7/h5,7,14-15H,1-4,6H2.
What are the key properties of 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one?
5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one has a molecular weight of 249.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-2-(1,1,2-trifluoroethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 146485610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).