1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

C16H16F3N3O2 — CID 70758506

IUPAC1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-2-1-3-13(10-11)24-12-5-8-22(9-6-12)15(23)14-4-7-20-21-14/h1-4,7,10,12H,5-6,8-9H2,(H,20,21)
InChIKeySPAXAWKOKHYRGQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.11
Rot. Bonds3

About 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone

1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 70758506) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
PubChem CID70758506
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)11-2-1-3-13(10-11)24-12-5-8-22(9-6-12)15(23)14-4-7-20-21-14/h1-4,7,10,12H,5-6,8-9H2,(H,20,21)
InChIKeySPAXAWKOKHYRGQ-UHFFFAOYSA-N
XLogP3.11
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone (CID 70758506) is 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is SPAXAWKOKHYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)11-2-1-3-13(10-11)24-12-5-8-22(9-6-12)15(23)14-4-7-20-21-14/h1-4,7,10,12H,5-6,8-9H2,(H,20,21).
What are the key properties of 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 339.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 70758506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).