4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

C15H19N3O2S — CID 125005055

IUPAC4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCc1ccccc1S(=O)(=O)N1CC[C@H](c2[nH]ncc2C)C1
InChIInChI=1S/C15H19N3O2S/c1-11-5-3-4-6-14(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)/t13-/m0/s1
InChIKeyTWQORJPLCFEWFA-ZDUSSCGKSA-N
MW305.40 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole

4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 125005055) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID125005055
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
SMILESCc1ccccc1S(=O)(=O)N1CC[C@H](c2[nH]ncc2C)C1
InChIInChI=1S/C15H19N3O2S/c1-11-5-3-4-6-14(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)/t13-/m0/s1
InChIKeyTWQORJPLCFEWFA-ZDUSSCGKSA-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

(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
3-(furan-2-yl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 110423892
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178348
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
3-(2-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989146
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
2-[(3S)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 95829531
5-(2-methylphenyl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917723

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole (CID 125005055) is 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is Cc1ccccc1S(=O)(=O)N1CC[C@H](c2[nH]ncc2C)C1.
What is the InChIKey of 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is TWQORJPLCFEWFA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-5-3-4-6-14(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)/t13-/m0/s1.
What are the key properties of 4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole?
4-methyl-5-[(3S)-1-(2-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-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 125005055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).