2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol

C17H20F3N3O — CID 51104529

IUPAC2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)14-3-1-2-13(10-14)16(24)11-23-8-5-12(6-9-23)15-4-7-21-22-15/h1-4,7,10,12,16,24H,5-6,8-9,11H2,(H,21,22)
InChIKeyUNJJJJYOZAWRMX-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.34
Rot. Bonds4

About 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 51104529) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID51104529
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3O/c18-17(19,20)14-3-1-2-13(10-14)16(24)11-23-8-5-12(6-9-23)15-4-7-21-22-15/h1-4,7,10,12,16,24H,5-6,8-9,11H2,(H,21,22)
InChIKeyUNJJJJYOZAWRMX-UHFFFAOYSA-N
XLogP3.34
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 51104529) is 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CN1CCC(c2ccn[nH]2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is UNJJJJYOZAWRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c18-17(19,20)14-3-1-2-13(10-14)16(24)11-23-8-5-12(6-9-23)15-4-7-21-22-15/h1-4,7,10,12,16,24H,5-6,8-9,11H2,(H,21,22).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 339.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 51104529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).