(3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol

C12H20FN3O3S — CID 131892096

IUPAC(3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C12H20FN3O3S/c1-7(2)16-9(4)12(8(3)14-16)20(18,19)15-5-10(13)11(17)6-15/h7,10-11,17H,5-6H2,1-4H3/t10-,11-/m1/s1
InChIKeyYXPGRGHVQLQXCH-GHMZBOCLSA-N
MW305.38 g/mol
LogP0.78
Rot. Bonds3

About (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol

(3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol (PubChem CID 131892096) has the molecular formula C12H20FN3O3S and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol
PubChem CID131892096
Molecular FormulaC12H20FN3O3S
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name(3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C12H20FN3O3S/c1-7(2)16-9(4)12(8(3)14-16)20(18,19)15-5-10(13)11(17)6-15/h7,10-11,17H,5-6H2,1-4H3/t10-,11-/m1/s1
InChIKeyYXPGRGHVQLQXCH-GHMZBOCLSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol (CID 131892096) is (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol is Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol?
The InChIKey is YXPGRGHVQLQXCH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20FN3O3S/c1-7(2)16-9(4)12(8(3)14-16)20(18,19)15-5-10(13)11(17)6-15/h7,10-11,17H,5-6H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol has a molecular weight of 305.38 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 131892096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).