[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol

C11H18FN3O3S — CID 128977177

IUPAC[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H18FN3O3S/c1-7-11(8(2)14(3)13-7)19(17,18)15-5-9(12)4-10(15)6-16/h9-10,16H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyDKPVHJBKJXPKRI-UWVGGRQHSA-N
MW291.35 g/mol
LogP0.13
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 128977177) has the molecular formula C11H18FN3O3S and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID128977177
Molecular FormulaC11H18FN3O3S
Molecular Weight291.35 g/mol
Exact Mass291.11
IUPAC Name[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H18FN3O3S/c1-7-11(8(2)14(3)13-7)19(17,18)15-5-9(12)4-10(15)6-16/h9-10,16H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyDKPVHJBKJXPKRI-UWVGGRQHSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol (CID 128977177) is [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol is Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is DKPVHJBKJXPKRI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18FN3O3S/c1-7-11(8(2)14(3)13-7)19(17,18)15-5-9(12)4-10(15)6-16/h9-10,16H,4-6H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 291.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).