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

C7H9F3N2O — CID 58514586

IUPAC2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1cnn(CCO)c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-5-4-11-12(2-3-13)6(5)7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyYACAJKNTGLGFES-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.20
Rot. Bonds2

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

2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 58514586) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID58514586
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESCc1cnn(CCO)c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-5-4-11-12(2-3-13)6(5)7(8,9)10/h4,13H,2-3H2,1H3
InChIKeyYACAJKNTGLGFES-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 58514586) is 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol is Cc1cnn(CCO)c1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is YACAJKNTGLGFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-4-11-12(2-3-13)6(5)7(8,9)10/h4,13H,2-3H2,1H3.
What are the key properties of 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 194.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 58514586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).