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

C17H21N3O3S — CID 7080962

IUPAC(3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=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/t16-/m0/s1
InChIKeyMWTRGVWVVIABNX-INIZCTEOSA-N
MW347.44 g/mol
LogP2.30
Rot. Bonds3

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

(3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (PubChem CID 7080962) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
PubChem CID7080962
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=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/t16-/m0/s1
InChIKeyMWTRGVWVVIABNX-INIZCTEOSA-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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Related Compounds

(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
(3,5-Dimethylpyrazol-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2130720
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutyl]-N,4-dimethylbenzenesulfonamide
CID 2200267
3,5-dimethyl-1-({1-[(4-methylphenyl)sulfonyl]pyrrolidin-2-yl}carbonyl)-1H-pyrazole
CID 3244073
N-{2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-1-phenylpentyl}-4-methylbenzenesulfonamide
CID 11842333
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-3-oxo-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 11842334
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25163266
(3,5-Dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 974222
N-{2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-1-phenylbutyl}-4-methylbenzenesulfonamide
CID 986595
1-({1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 3243549

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (CID 7080962) is (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The InChIKey is MWTRGVWVVIABNX-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
(3,5-dimethylpyrazol-1-yl)-[(2S)-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)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 7080962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).