2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol

C16H19ClF3N3O3 — CID 69319328

IUPAC2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol
SMILESCC(C)Oc1nn(CCO)cc1CCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H19ClF3N3O3/c1-10(2)26-14-11(9-23(22-14)4-5-24)3-6-25-15-13(17)7-12(8-21-15)16(18,19)20/h7-10,24H,3-6H2,1-2H3
InChIKeyBUZCHNZLSKVPGL-UHFFFAOYSA-N
MW393.79 g/mol
LogP3.35
Rot. Bonds8

About 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol

2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol (PubChem CID 69319328) has the molecular formula C16H19ClF3N3O3 and a molecular weight of 393.79 g/mol. Its IUPAC name is 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol
PubChem CID69319328
Molecular FormulaC16H19ClF3N3O3
Molecular Weight393.79 g/mol
Exact Mass393.11
IUPAC Name2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol
SMILESCC(C)Oc1nn(CCO)cc1CCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H19ClF3N3O3/c1-10(2)26-14-11(9-23(22-14)4-5-24)3-6-25-15-13(17)7-12(8-21-15)16(18,19)20/h7-10,24H,3-6H2,1-2H3
InChIKeyBUZCHNZLSKVPGL-UHFFFAOYSA-N
XLogP3.35
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol (CID 69319328) is 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol is CC(C)Oc1nn(CCO)cc1CCOc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol?
The InChIKey is BUZCHNZLSKVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O3/c1-10(2)26-14-11(9-23(22-14)4-5-24)3-6-25-15-13(17)7-12(8-21-15)16(18,19)20/h7-10,24H,3-6H2,1-2H3.
What are the key properties of 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol?
2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol has a molecular weight of 393.79 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-propan-2-yloxypyrazol-1-yl]ethanol is sourced from PubChem (CID 69319328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).