4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one

C12H16F3N3O — CID 134331590

IUPAC4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCNC(=O)C1
InChIInChI=1S/C12H16F3N3O/c1-7(2)9-6-10(12(13,14)15)17-18(9)8-3-4-16-11(19)5-8/h6-8H,3-5H2,1-2H3,(H,16,19)
InChIKeyGZKTUCVUFYZFQV-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.48
Rot. Bonds2

About 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one

4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one (PubChem CID 134331590) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one
PubChem CID134331590
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCNC(=O)C1
InChIInChI=1S/C12H16F3N3O/c1-7(2)9-6-10(12(13,14)15)17-18(9)8-3-4-16-11(19)5-8/h6-8H,3-5H2,1-2H3,(H,16,19)
InChIKeyGZKTUCVUFYZFQV-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one?
The IUPAC name of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one (CID 134331590) is 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one.
What is the SMILES notation for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one?
The canonical SMILES for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one is CC(C)c1cc(C(F)(F)F)nn1C1CCNC(=O)C1.
What is the InChIKey of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one?
The InChIKey is GZKTUCVUFYZFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7(2)9-6-10(12(13,14)15)17-18(9)8-3-4-16-11(19)5-8/h6-8H,3-5H2,1-2H3,(H,16,19).
What are the key properties of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one?
4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-2-one is sourced from PubChem (CID 134331590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).