1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C14H20F3N3O — CID 23557459

IUPAC1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1cc(C2CCN(C(=O)C(F)(F)F)CC2)n(CC)n1
InChIInChI=1S/C14H20F3N3O/c1-3-11-9-12(20(4-2)18-11)10-5-7-19(8-6-10)13(21)14(15,16)17/h9-10H,3-8H2,1-2H3
InChIKeyULTZDHPEHNHZCC-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 23557459) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID23557459
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCCc1cc(C2CCN(C(=O)C(F)(F)F)CC2)n(CC)n1
InChIInChI=1S/C14H20F3N3O/c1-3-11-9-12(20(4-2)18-11)10-5-7-19(8-6-10)13(21)14(15,16)17/h9-10H,3-8H2,1-2H3
InChIKeyULTZDHPEHNHZCC-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 23557459) is 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is CCc1cc(C2CCN(C(=O)C(F)(F)F)CC2)n(CC)n1.
What is the InChIKey of 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is ULTZDHPEHNHZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-11-9-12(20(4-2)18-11)10-5-7-19(8-6-10)13(21)14(15,16)17/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 303.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 23557459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).