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

C12H11F3N2O — CID 165347023

IUPAC2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-8-10(17(16-11)6-7-18)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2
InChIKeyITECBSLLISFTDG-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.56
Rot. Bonds3

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

2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 165347023) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID165347023
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-8-10(17(16-11)6-7-18)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2
InChIKeyITECBSLLISFTDG-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 165347023) is 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is OCCn1nc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is ITECBSLLISFTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11-8-10(17(16-11)6-7-18)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2.
What are the key properties of 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 256.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165347023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).