(3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

C17H21N3O3S — CID 3244073

IUPAC(3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-6-8-15(9-7-12)24(22,23)19-10-4-5-16(19)17(21)20-14(3)11-13(2)18-20/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyMWTRGVWVVIABNX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.30
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

(3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (PubChem CID 3244073) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
PubChem CID3244073
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-6-8-15(9-7-12)24(22,23)19-10-4-5-16(19)17(21)20-14(3)11-13(2)18-20/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyMWTRGVWVVIABNX-UHFFFAOYSA-N
XLogP2.30
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (CID 3244073) is (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The InChIKey is MWTRGVWVVIABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-6-8-15(9-7-12)24(22,23)19-10-4-5-16(19)17(21)20-14(3)11-13(2)18-20/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
(3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone has a molecular weight of 347.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 3244073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).