[1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone

C16H19N3O3S — CID 3373140

IUPAC[1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-11-13(2)19(17-12)16(20)15-9-6-10-18(15)23(21,22)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10H2,1-2H3
InChIKeyGIFKAVGFNCVXDL-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.99
Rot. Bonds3

About [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone

[1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 3373140) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID3373140
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-12-11-13(2)19(17-12)16(20)15-9-6-10-18(15)23(21,22)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10H2,1-2H3
InChIKeyGIFKAVGFNCVXDL-UHFFFAOYSA-N
XLogP1.99
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
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
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 12530685
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-[4-(2-fluorophenyl)piperazin-1-YL]propan-1-one
CID 16027727
1-({1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 3243549
(3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(1-((4-fluorophenyl)sulfonyl)pyrrolidin-2-yl)methanone
CID 3448843
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(phenylsulfonyl)piperazine
CID 6489214
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-(4-phenylpiperazin-1-YL)propan-1-one
CID 16028051
2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
CID 16738564
1-[1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole
CID 3540867
1-[4-(3,5-Dimethylpyrazol-1-yl)phenyl]sulfonyl-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 12530684

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone (CID 3373140) is [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is GIFKAVGFNCVXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-11-13(2)19(17-12)16(20)15-9-6-10-18(15)23(21,22)14-7-4-3-5-8-14/h3-5,7-8,11,15H,6,9-10H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
[1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 333.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)pyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 3373140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).