[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

C13H10F6N2O — CID 86600626

IUPAC[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(F)(F)F
InChIInChI=1S/C13H10F6N2O/c14-12(15,16)7-21-10(6-22)5-11(20-21)8-1-3-9(4-2-8)13(17,18)19/h1-5,22H,6-7H2
InChIKeyZQROEICLOMRAHE-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.62
Rot. Bonds3

About [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 86600626) has the molecular formula C13H10F6N2O and a molecular weight of 324.22 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID86600626
Molecular FormulaC13H10F6N2O
Molecular Weight324.22 g/mol
Exact Mass324.07
IUPAC Name[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESOCc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(F)(F)F
InChIInChI=1S/C13H10F6N2O/c14-12(15,16)7-21-10(6-22)5-11(20-21)8-1-3-9(4-2-8)13(17,18)19/h1-5,22H,6-7H2
InChIKeyZQROEICLOMRAHE-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (CID 86600626) is [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is OCc1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is ZQROEICLOMRAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O/c14-12(15,16)7-21-10(6-22)5-11(20-21)8-1-3-9(4-2-8)13(17,18)19/h1-5,22H,6-7H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
[1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 324.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 86600626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).