3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

C11H19N3O3S — CID 103871582

IUPAC3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H19N3O3S/c1-8-10(9(2)13(4)12-8)18(16,17)14-6-5-11(3,15)7-14/h15H,5-7H2,1-4H3
InChIKeyOKWGHECUKQYQQU-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.18
Rot. Bonds2

About 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol

3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (PubChem CID 103871582) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
PubChem CID103871582
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C)(O)C1
InChIInChI=1S/C11H19N3O3S/c1-8-10(9(2)13(4)12-8)18(16,17)14-6-5-11(3,15)7-14/h15H,5-7H2,1-4H3
InChIKeyOKWGHECUKQYQQU-UHFFFAOYSA-N
XLogP0.18
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
CID 51570298
1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-YL (1-pyrrolidinyl) sulfone
CID 19582799
3-methyl-5-(trifluoromethyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-4,5-dihydro-1H-pyrazol-5-ol
CID 19587846
3,5-bis(difluoromethyl)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4,5-dihydro-1H-pyrazol-5-ol
CID 19588877
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 19589003
(3R)-5-methyl-3-(trifluoromethyl)-2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
CID 51570299
(3R)-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 51570373
(3S)-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 51570374
(3R)-3,5-bis(difluoromethyl)-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
CID 51570504
(3S)-3,5-bis(difluoromethyl)-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-4H-pyrazol-3-ol
CID 51570505
1-(2-hydroxyethyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65729403
1-(3-hydroxypropyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65729595

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol (CID 103871582) is 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is OKWGHECUKQYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-10(9(2)13(4)12-8)18(16,17)14-6-5-11(3,15)7-14/h15H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol?
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 273.36 g/mol, XLogP of 0.18, 2 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-3-ol is sourced from PubChem (CID 103871582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).