2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

C16H17F3N4O2 — CID 71798771

IUPAC2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)12-2-3-14(20-10-12)25-13-4-8-22(9-5-13)15(24)11-23-7-1-6-21-23/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyDCUUPZVVJJDAJN-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.37
Rot. Bonds4

About 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 71798771) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID71798771
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)12-2-3-14(20-10-12)25-13-4-8-22(9-5-13)15(24)11-23-7-1-6-21-23/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyDCUUPZVVJJDAJN-UHFFFAOYSA-N
XLogP2.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 71798771) is 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is O=C(Cn1cccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is DCUUPZVVJJDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)12-2-3-14(20-10-12)25-13-4-8-22(9-5-13)15(24)11-23-7-1-6-21-23/h1-3,6-7,10,13H,4-5,8-9,11H2.
What are the key properties of 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 354.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).