1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide

C12H22N4O2S — CID 63622695

IUPAC1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)19(17,18)14-7-5-11-4-6-13-8-11/h11,13-14H,4-8H2,1-3H3
InChIKeyDUMLCSFJPSBVLL-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.31
Rot. Bonds5

About 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide (PubChem CID 63622695) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
PubChem CID63622695
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)19(17,18)14-7-5-11-4-6-13-8-11/h11,13-14H,4-8H2,1-3H3
InChIKeyDUMLCSFJPSBVLL-UHFFFAOYSA-N
XLogP0.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
2,3,5,6-tetramethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623439
3,5-dimethyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60895350
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119538066
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
2,3-dimethyl-6-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977376
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide (CID 63622695) is 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCC1CCNC1.
What is the InChIKey of 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is DUMLCSFJPSBVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)19(17,18)14-7-5-11-4-6-13-8-11/h11,13-14H,4-8H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 63622695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).