2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol

C6H7F3N2O — CID 63962847

IUPAC2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-11-4(2-3-10-11)5(12)6(7,8)9/h2-3,5,12H,1H3
InChIKeyALLGRHSYCXIDNW-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.02
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol

2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol (PubChem CID 63962847) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol
PubChem CID63962847
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol
SMILESCn1nccc1C(O)C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-11-4(2-3-10-11)5(12)6(7,8)9/h2-3,5,12H,1H3
InChIKeyALLGRHSYCXIDNW-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-1H-pyrazol-3-yl)methanol
CID 12845046
(1-methyl-1H-pyrazol-5-yl)methanol
CID 11815316
(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896703
(1-(difluoromethyl)-1H-pyrazol-3-yl)methanol
CID 50896816
(1-(2,2-difluoroethyl)-1H-pyrazol-3-yl)methanol
CID 50896840
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methanol
CID 60136443
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63961152
(2-Butyl-2H-Pyrazol-3-Yl)-Methanol
CID 86767428
(1R)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258266
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol (CID 63962847) is 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol is Cn1nccc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol?
The InChIKey is ALLGRHSYCXIDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-11-4(2-3-10-11)5(12)6(7,8)9/h2-3,5,12H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol?
2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol has a molecular weight of 180.13 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63962847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).