[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol

C11H19FN2O — CID 82698297

IUPAC[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol
SMILESCCc1nn(CCCF)c(CC)c1CO
InChIInChI=1S/C11H19FN2O/c1-3-10-9(8-15)11(4-2)14(13-10)7-5-6-12/h15H,3-8H2,1-2H3
InChIKeyWPQCQWTZSOUMEW-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.86
Rot. Bonds6

About [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol

[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol (PubChem CID 82698297) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol
PubChem CID82698297
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol
SMILESCCc1nn(CCCF)c(CC)c1CO
InChIInChI=1S/C11H19FN2O/c1-3-10-9(8-15)11(4-2)14(13-10)7-5-6-12/h15H,3-8H2,1-2H3
InChIKeyWPQCQWTZSOUMEW-UHFFFAOYSA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol (CID 82698297) is [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol is CCc1nn(CCCF)c(CC)c1CO.
What is the InChIKey of [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol?
The InChIKey is WPQCQWTZSOUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-3-10-9(8-15)11(4-2)14(13-10)7-5-6-12/h15H,3-8H2,1-2H3.
What are the key properties of [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol?
[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol has a molecular weight of 214.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 82698297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).