2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

C13H13F3N2O — CID 22244551

IUPAC2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(CCO)cc1
InChIInChI=1S/C13H13F3N2O/c1-9-8-12(13(14,15)16)17-18(9)11-4-2-10(3-5-11)6-7-19/h2-5,8,19H,6-7H2,1H3
InChIKeyUTSKGQQCBJEOJK-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol

2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol (PubChem CID 22244551) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
PubChem CID22244551
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(CCO)cc1
InChIInChI=1S/C13H13F3N2O/c1-9-8-12(13(14,15)16)17-18(9)11-4-2-10(3-5-11)6-7-19/h2-5,8,19H,6-7H2,1H3
InChIKeyUTSKGQQCBJEOJK-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol (CID 22244551) is 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol is Cc1cc(C(F)(F)F)nn1-c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
The InChIKey is UTSKGQQCBJEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-9-8-12(13(14,15)16)17-18(9)11-4-2-10(3-5-11)6-7-19/h2-5,8,19H,6-7H2,1H3.
What are the key properties of 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol?
2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol has a molecular weight of 270.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 22244551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).