1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide

C10H18N4O2S — CID 79684858

IUPAC1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)14(3)12-7)17(15,16)13-9-4-5-11-6-9/h9,11,13H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyYPKRUAFYEIMRMG-VIFPVBQESA-N
MW258.35 g/mol
LogP-0.32
Rot. Bonds3

About 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 79684858) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
PubChem CID79684858
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCNC1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)14(3)12-7)17(15,16)13-9-4-5-11-6-9/h9,11,13H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyYPKRUAFYEIMRMG-VIFPVBQESA-N
XLogP-0.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
CID 8901194
N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 9115356
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
1-(2-(dimethylamino)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride hydrochloride
CID 75480881
5-(aminomethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 145905149
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 8898142
N-butan-2-yl-2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)acetamide
CID 16254627

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide (CID 79684858) is 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCNC1.
What is the InChIKey of 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is YPKRUAFYEIMRMG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-10(8(2)14(3)12-7)17(15,16)13-9-4-5-11-6-9/h9,11,13H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.32, 3 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-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 79684858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).