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

C7H8BrF3N2O — CID 71055438

IUPAC1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol
SMILESCC(O)c1c(Br)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H8BrF3N2O/c1-3(14)5-4(8)6(7(9,10)11)12-13(5)2/h3,14H,1-2H3
InChIKeyFMIMQRTVAYYITK-UHFFFAOYSA-N
MW273.05 g/mol
LogP2.25
Rot. Bonds1

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

1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol (PubChem CID 71055438) has the molecular formula C7H8BrF3N2O and a molecular weight of 273.05 g/mol. Its IUPAC name is 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol
PubChem CID71055438
Molecular FormulaC7H8BrF3N2O
Molecular Weight273.05 g/mol
Exact Mass271.98
IUPAC Name1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol
SMILESCC(O)c1c(Br)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H8BrF3N2O/c1-3(14)5-4(8)6(7(9,10)11)12-13(5)2/h3,14H,1-2H3
InChIKeyFMIMQRTVAYYITK-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.05
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
The IUPAC name of 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol (CID 71055438) is 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
The canonical SMILES for 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol is CC(O)c1c(Br)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
The InChIKey is FMIMQRTVAYYITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2O/c1-3(14)5-4(8)6(7(9,10)11)12-13(5)2/h3,14H,1-2H3.
What are the key properties of 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol has a molecular weight of 273.05 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol is sourced from PubChem (CID 71055438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).