1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol

C9H15FN2O — CID 80693840

IUPAC1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(CCF)c(C)c1C(C)O
InChIInChI=1S/C9H15FN2O/c1-6-9(8(3)13)7(2)12(11-6)5-4-10/h8,13H,4-5H2,1-3H3
InChIKeyFFWPRJUXEYCYMV-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.52
Rot. Bonds3

About 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol

1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 80693840) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID80693840
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(CCF)c(C)c1C(C)O
InChIInChI=1S/C9H15FN2O/c1-6-9(8(3)13)7(2)12(11-6)5-4-10/h8,13H,4-5H2,1-3H3
InChIKeyFFWPRJUXEYCYMV-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 80693840) is 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(CCF)c(C)c1C(C)O.
What is the InChIKey of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is FFWPRJUXEYCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-6-9(8(3)13)7(2)12(11-6)5-4-10/h8,13H,4-5H2,1-3H3.
What are the key properties of 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 186.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 80693840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).