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

C7H9F3N2O2 — CID 121210620

IUPAC2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6-3-5(4-14)12(11-6)1-2-13/h3,13-14H,1-2,4H2
InChIKeyJPOGFGFWYKUIAQ-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.39
Rot. Bonds3

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

2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 121210620) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID121210620
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C7H9F3N2O2/c8-7(9,10)6-3-5(4-14)12(11-6)1-2-13/h3,13-14H,1-2,4H2
InChIKeyJPOGFGFWYKUIAQ-UHFFFAOYSA-N
XLogP0.39
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 121210620) is 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol is OCCn1nc(C(F)(F)F)cc1CO.
What is the InChIKey of 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is JPOGFGFWYKUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c8-7(9,10)6-3-5(4-14)12(11-6)1-2-13/h3,13-14H,1-2,4H2.
What are the key properties of 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 210.15 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 121210620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).