(5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol

C7H8F2N2O — CID 162349399

IUPAC(5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol
SMILESOCc1cnn2c1CC(F)(F)C2
InChIInChI=1S/C7H8F2N2O/c8-7(9)1-6-5(3-12)2-10-11(6)4-7/h2,12H,1,3-4H2
InChIKeyKFXLCESIXUMCIH-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.57
Rot. Bonds1

About (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol

(5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol (PubChem CID 162349399) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol
PubChem CID162349399
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name(5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol
SMILESOCc1cnn2c1CC(F)(F)C2
InChIInChI=1S/C7H8F2N2O/c8-7(9)1-6-5(3-12)2-10-11(6)4-7/h2,12H,1,3-4H2
InChIKeyKFXLCESIXUMCIH-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol?
The IUPAC name of (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol (CID 162349399) is (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol.
What is the SMILES notation for (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol?
The canonical SMILES for (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol is OCc1cnn2c1CC(F)(F)C2.
What is the InChIKey of (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol?
The InChIKey is KFXLCESIXUMCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)1-6-5(3-12)2-10-11(6)4-7/h2,12H,1,3-4H2.
What are the key properties of (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol?
(5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol has a molecular weight of 174.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)methanol is sourced from PubChem (CID 162349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).