1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol

C17H15F3N4O — CID 168923982

IUPAC1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol
SMILESOC(Cc1ccn(Cc2ccc(C(F)(F)F)nc2)n1)c1cccnc1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)16-4-3-12(9-22-16)11-24-7-5-14(23-24)8-15(25)13-2-1-6-21-10-13/h1-7,9-10,15,25H,8,11H2
InChIKeyGHYUEBGHUXNQJU-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.02
Rot. Bonds5

About 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol

1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol (PubChem CID 168923982) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol
PubChem CID168923982
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol
SMILESOC(Cc1ccn(Cc2ccc(C(F)(F)F)nc2)n1)c1cccnc1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)16-4-3-12(9-22-16)11-24-7-5-14(23-24)8-15(25)13-2-1-6-21-10-13/h1-7,9-10,15,25H,8,11H2
InChIKeyGHYUEBGHUXNQJU-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol?
The IUPAC name of 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol (CID 168923982) is 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol?
The canonical SMILES for 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol is OC(Cc1ccn(Cc2ccc(C(F)(F)F)nc2)n1)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol?
The InChIKey is GHYUEBGHUXNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)16-4-3-12(9-22-16)11-24-7-5-14(23-24)8-15(25)13-2-1-6-21-10-13/h1-7,9-10,15,25H,8,11H2.
What are the key properties of 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol?
1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol has a molecular weight of 348.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 168923982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).