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

C7H8ClF3N2O — CID 70967703

IUPAC1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol
SMILESCC(O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H8ClF3N2O/c1-3(14)5-4(8)6(7(9,10)11)12-13(5)2/h3,14H,1-2H3
InChIKeyOXYBMOJXGJCDTG-UHFFFAOYSA-N
MW228.60 g/mol
LogP2.15
Rot. Bonds1

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

1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol (PubChem CID 70967703) has the molecular formula C7H8ClF3N2O and a molecular weight of 228.60 g/mol. Its IUPAC name is 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol
PubChem CID70967703
Molecular FormulaC7H8ClF3N2O
Molecular Weight228.60 g/mol
Exact Mass228.03
IUPAC Name1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol
SMILESCC(O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C7H8ClF3N2O/c1-3(14)5-4(8)6(7(9,10)11)12-13(5)2/h3,14H,1-2H3
InChIKeyOXYBMOJXGJCDTG-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.60
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
The IUPAC name of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol (CID 70967703) is 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
The canonical SMILES for 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol is CC(O)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
The InChIKey is OXYBMOJXGJCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2O/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-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol?
1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol has a molecular weight of 228.60 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]ethanol is sourced from PubChem (CID 70967703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).