2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol

C8H13FN2O — CID 84731981

IUPAC2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol
SMILESCC(C)(F)c1ccnn1CCO
InChIInChI=1S/C8H13FN2O/c1-8(2,9)7-3-4-10-11(7)5-6-12/h3-4,12H,5-6H2,1-2H3
InChIKeyFAWUPIZFGMBCFA-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.08
Rot. Bonds3

About 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol

2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol (PubChem CID 84731981) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol
PubChem CID84731981
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol
SMILESCC(C)(F)c1ccnn1CCO
InChIInChI=1S/C8H13FN2O/c1-8(2,9)7-3-4-10-11(7)5-6-12/h3-4,12H,5-6H2,1-2H3
InChIKeyFAWUPIZFGMBCFA-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 21832419
1-Methyl-3-t-butylpyrazole
CID 145633
1-Methyl-5-t-butylpyrazole
CID 145634
2-(5-(piperidin-4-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 50990677
3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol
CID 64515300
2-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 83390687
2-(5-Methyl-pyrazol-1-YL)-ethanol
CID 12360320
1-Propyl-5-ethylpyrazole
CID 23006155
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
1,2-Dimethyl-3-propan-2-ylpyrazol-1-ium
CID 137547166
3-(pentafluoroethyl)-1H-pyrazole-1-ylmethanol
CID 23149136
3-Tert-butyl-1-(2-fluoroethyl)pyrazole
CID 57813846

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol (CID 84731981) is 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol is CC(C)(F)c1ccnn1CCO.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is FAWUPIZFGMBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-8(2,9)7-3-4-10-11(7)5-6-12/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol?
2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 172.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 84731981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).