(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol

C19H19F3N4O2 — CID 70001283

IUPAC(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol
SMILESO[C@@H](CNCCOc1ccc(-c2ccnn2C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)26-17(7-9-25-26)14-3-5-16(6-4-14)28-11-10-24-13-18(27)15-2-1-8-23-12-15/h1-9,12,18,24,27H,10-11,13H2/t18-/m0/s1
InChIKeyKJZVIMIPPDZESA-SFHVURJKSA-N
MW392.38 g/mol
LogP3.12
Rot. Bonds8

About (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol

(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol (PubChem CID 70001283) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol
PubChem CID70001283
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol
SMILESO[C@@H](CNCCOc1ccc(-c2ccnn2C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)26-17(7-9-25-26)14-3-5-16(6-4-14)28-11-10-24-13-18(27)15-2-1-8-23-12-15/h1-9,12,18,24,27H,10-11,13H2/t18-/m0/s1
InChIKeyKJZVIMIPPDZESA-SFHVURJKSA-N
XLogP3.12
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol?
The IUPAC name of (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol (CID 70001283) is (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol.
What is the SMILES notation for (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol?
The canonical SMILES for (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol is O[C@@H](CNCCOc1ccc(-c2ccnn2C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol?
The InChIKey is KJZVIMIPPDZESA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)26-17(7-9-25-26)14-3-5-16(6-4-14)28-11-10-24-13-18(27)15-2-1-8-23-12-15/h1-9,12,18,24,27H,10-11,13H2/t18-/m0/s1.
What are the key properties of (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol?
(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol has a molecular weight of 392.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)pyrazol-3-yl]phenoxy]ethylamino]ethanol is sourced from PubChem (CID 70001283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).