(4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol

C11H17FN2O4 — CID 166767370

IUPAC(4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)[C@H]([C@@H](O)[C@H](F)n2cccn2)O1
InChIInChI=1S/C11H17FN2O4/c1-11(2)17-6-7(15)9(18-11)8(16)10(12)14-5-3-4-13-14/h3-5,7-10,15-16H,6H2,1-2H3/t7?,8-,9-,10-/m1/s1
InChIKeyMIOLYUFWFUGXIW-NPTNVHDASA-N
MW260.26 g/mol
LogP0.22
Rot. Bonds3

About (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol

(4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 166767370) has the molecular formula C11H17FN2O4 and a molecular weight of 260.26 g/mol. Its IUPAC name is (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID166767370
Molecular FormulaC11H17FN2O4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name(4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)[C@H]([C@@H](O)[C@H](F)n2cccn2)O1
InChIInChI=1S/C11H17FN2O4/c1-11(2)17-6-7(15)9(18-11)8(16)10(12)14-5-3-4-13-14/h3-5,7-10,15-16H,6H2,1-2H3/t7?,8-,9-,10-/m1/s1
InChIKeyMIOLYUFWFUGXIW-NPTNVHDASA-N
XLogP0.22
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol with MolForge

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Launch Full Analysis

Related Compounds

5-cyclobutyl-2-[(1R)-1-fluoro-2-hydroxy-2-[(4R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]isoindole-1,3-dione
CID 166767383
1-(1,2,2-trifluoroethyl)pyrazole
CID 175260687
(1R)-1-[(4R,5R)-5-[fluoro(triazol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;scandium
CID 156864870
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
methyl (E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-[(4S,5S)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-enoate
CID 46189514
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
2-methyl-1-pyrazol-1-ylpropan-1-ol
CID 70596734
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322
(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 14101922
1-(1-cyclopropylethyl)pyrazole
CID 61272490
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethanesulfonic acid
CID 123663147

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol (CID 166767370) is (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OCC(O)[C@H]([C@@H](O)[C@H](F)n2cccn2)O1.
What is the InChIKey of (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is MIOLYUFWFUGXIW-NPTNVHDASA-N. The full InChI is InChI=1S/C11H17FN2O4/c1-11(2)17-6-7(15)9(18-11)8(16)10(12)14-5-3-4-13-14/h3-5,7-10,15-16H,6H2,1-2H3/t7?,8-,9-,10-/m1/s1.
What are the key properties of (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
(4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 260.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R,2S)-2-fluoro-1-hydroxy-2-pyrazol-1-ylethyl]-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 166767370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).