1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole

C12H21N3O2S — CID 136548150

IUPAC1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole
SMILESCc1cnn(C)c1S(=O)(=O)N1CC(C)C(C)C1C
InChIInChI=1S/C12H21N3O2S/c1-8-6-13-14(5)12(8)18(16,17)15-7-9(2)10(3)11(15)4/h6,9-11H,7H2,1-5H3
InChIKeyCLPIXURGTKZTGS-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.39
Rot. Bonds2

About 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole

1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole (PubChem CID 136548150) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole.

Molecular Properties

Compound Name1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole
PubChem CID136548150
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole
SMILESCc1cnn(C)c1S(=O)(=O)N1CC(C)C(C)C1C
InChIInChI=1S/C12H21N3O2S/c1-8-6-13-14(5)12(8)18(16,17)15-7-9(2)10(3)11(15)4/h6,9-11H,7H2,1-5H3
InChIKeyCLPIXURGTKZTGS-UHFFFAOYSA-N
XLogP1.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

N-[(S)-cyclobutyl(cyclopropyl)methyl]-1,4-dimethylpyrazole-5-sulfonamide
CID 164642446
N-[1-(2,2-dimethylcyclopropyl)-2,2,2-trifluoroethyl]-1,4-dimethylpyrazole-5-sulfonamide
CID 167855781
6-(1,4-Dimethylpyrazol-5-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane
CID 128361960
(1R,5S)-8-(1,4-dimethylpyrazol-5-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
CID 168996143
1-methyl-4-[(3S)-3-propan-2-ylpyrrolidin-1-yl]sulfonylpyrazole
CID 170387476
8-(1,4-Dimethylpyrazol-5-yl)sulfonyl-3-(4-methylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
CID 176549386
rel-(3R,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine hydrochloride
CID 72934768
[5-Methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 81929403
5-[2-(Bromomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 102788625
4-[2-(Bromomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 102788683
3-[4-(3-Propan-2-ylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine
CID 104497623
[5-Methyl-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 104710334

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole?
The IUPAC name of 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole (CID 136548150) is 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole.
What is the SMILES notation for 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole?
The canonical SMILES for 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole is Cc1cnn(C)c1S(=O)(=O)N1CC(C)C(C)C1C.
What is the InChIKey of 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole?
The InChIKey is CLPIXURGTKZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8-6-13-14(5)12(8)18(16,17)15-7-9(2)10(3)11(15)4/h6,9-11H,7H2,1-5H3.
What are the key properties of 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole?
1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole has a molecular weight of 271.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(2,3,4-trimethylpyrrolidin-1-yl)sulfonylpyrazole is sourced from PubChem (CID 136548150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).