N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide

C12H22N4O2S — CID 131950700

IUPACN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H22N4O2S/c1-10-12(11(2)15(4)13-10)9-14(3)19(17,18)16-7-5-6-8-16/h5-9H2,1-4H3
InChIKeyZIZDKDDKJZUXMF-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds4

About N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide

N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 131950700) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
PubChem CID131950700
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H22N4O2S/c1-10-12(11(2)15(4)13-10)9-14(3)19(17,18)16-7-5-6-8-16/h5-9H2,1-4H3
InChIKeyZIZDKDDKJZUXMF-UHFFFAOYSA-N
XLogP0.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride hydrate
CID 50944252
[(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methyl]-amine hydrochloride
CID 54758992
3,4,5-trimethyl-1-(1-pyrrolidinylsulfonyl)-1H-pyrazole
CID 16004379
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-methylpiperazine-1-sulfonamide
CID 129619592
4,5-Dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
CID 122633531

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide (CID 131950700) is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is ZIZDKDDKJZUXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10-12(11(2)15(4)13-10)9-14(3)19(17,18)16-7-5-6-8-16/h5-9H2,1-4H3.
What are the key properties of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide?
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131950700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).