4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

C15H19N3O2S — CID 110270738

IUPAC4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C)C2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-3-5-14(6-4-11)21(19,20)18-8-7-13(10-18)15-12(2)9-16-17-15/h3-6,9,13H,7-8,10H2,1-2H3,(H,16,17)
InChIKeyIWDMJFBPTDIZTG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 110270738) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID110270738
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C)C2)cc1
InChIInChI=1S/C15H19N3O2S/c1-11-3-5-14(6-4-11)21(19,20)18-8-7-13(10-18)15-12(2)9-16-17-15/h3-6,9,13H,7-8,10H2,1-2H3,(H,16,17)
InChIKeyIWDMJFBPTDIZTG-UHFFFAOYSA-N
XLogP2.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6R)-4,6-di(propan-2-yl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46883804
(4R,6S)-4-cyclopropyl-7,7-difluoro-6-methyl-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890816
7,7-difluoro-4-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]sulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890820
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
6-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-1H-indazole
CID 44341126
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53325446
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
1-[[4-(methylsulfamoyl)phenyl]methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084254
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 53622736
5-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazole
CID 110256896
5-[1-(benzenesulfonyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110256953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (CID 110270738) is 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is Cc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C)C2)cc1.
What is the InChIKey of 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is IWDMJFBPTDIZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-3-5-14(6-4-11)21(19,20)18-8-7-13(10-18)15-12(2)9-16-17-15/h3-6,9,13H,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 305.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 110270738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).