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

C12H21N3O3S — CID 102786396

IUPAC[3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C12H21N3O3S/c1-8-5-6-15(11(8)7-16)19(17,18)12-9(2)13-14(4)10(12)3/h8,11,16H,5-7H2,1-4H3
InChIKeyHTOVFVSKEIYHFP-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.43
Rot. Bonds3

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

[3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 102786396) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID102786396
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name[3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C)C1CO
InChIInChI=1S/C12H21N3O3S/c1-8-5-6-15(11(8)7-16)19(17,18)12-9(2)13-14(4)10(12)3/h8,11,16H,5-7H2,1-4H3
InChIKeyHTOVFVSKEIYHFP-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65729403
1-(2-hydroxyethyl)-N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65733769
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65736068
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 107483494
N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 107483699
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-N,3,5-trimethylpyrazole-4-sulfonamide
CID 116318836
[(2S,4S)-4-fluoro-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol
CID 128977177
rac-(3R,4R)-4-fluoro-1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 131892096
1-(1-Ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 136517178
N-ethyl-1-[2-hydroxy-2-(trifluoromethyl)pentyl]-N,3,5-trimethylpyrazole-4-sulfonamide
CID 167972737
4-[3-(Fluoromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
CID 177670311
1-{1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}pyrrolidin-3-ol
CID 71809744

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol (CID 102786396) is [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is HTOVFVSKEIYHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-5-6-15(11(8)7-16)19(17,18)12-9(2)13-14(4)10(12)3/h8,11,16H,5-7H2,1-4H3.
What are the key properties of [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol?
[3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 287.38 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).