3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

C15H28N4O2S — CID 56780575

IUPAC3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1cc(C)n(CC2CCCN2CCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H28N4O2S/c1-13-11-14(2)19(16-13)12-15-7-5-8-18(15)9-6-10-22(20,21)17(3)4/h11,15H,5-10,12H2,1-4H3
InChIKeyMVFQMWIHIFERFH-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.25
Rot. Bonds7

About 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 56780575) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID56780575
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1cc(C)n(CC2CCCN2CCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H28N4O2S/c1-13-11-14(2)19(16-13)12-15-7-5-8-18(15)9-6-10-22(20,21)17(3)4/h11,15H,5-10,12H2,1-4H3
InChIKeyMVFQMWIHIFERFH-UHFFFAOYSA-N
XLogP1.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bis[(3,5-dimethylpyrazol-1-yl)ethyl] disulfide
CID 85700860
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 53616461
3,5-Dimethyl-1-[(1-propylpyrrolidin-2-yl)methyl]pyrazole
CID 53617273
3-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propane-1-sulfonamide
CID 53619054
3,5-Dimethyl-1-[[1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 53623307
3,5-Dimethyl-1-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 56780577
3-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 72141886
4-(3,5-Dimethylpyrazol-1-YL)-1-methanesulfonylpiperidine
CID 73439281
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CID 2867622
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]methanesulfonamide
CID 49670910
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)cyclohexanesulfonamide
CID 71782938
1-(butylsulfonyl)-4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)piperazine
CID 71783868

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide (CID 56780575) is 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is Cc1cc(C)n(CC2CCCN2CCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is MVFQMWIHIFERFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-13-11-14(2)19(16-13)12-15-7-5-8-18(15)9-6-10-22(20,21)17(3)4/h11,15H,5-10,12H2,1-4H3.
What are the key properties of 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 56780575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).