3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide

C17H22N4O3S — CID 42283291

IUPAC3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H22N4O3S/c1-14-16(13-21(19-14)15-7-3-2-4-8-15)25(23,24)18-10-6-12-20-11-5-9-17(20)22/h2-4,7-8,13,18H,5-6,9-12H2,1H3
InChIKeyOXJSRTGUYAFGIW-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.47
Rot. Bonds7

About 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide

3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283291) has the molecular formula C17H22N4O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
PubChem CID42283291
Molecular FormulaC17H22N4O3S
Molecular Weight362.45 g/mol
Exact Mass362.14
IUPAC Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C17H22N4O3S/c1-14-16(13-21(19-14)15-7-3-2-4-8-15)25(23,24)18-10-6-12-20-11-5-9-17(20)22/h2-4,7-8,13,18H,5-6,9-12H2,1H3
InChIKeyOXJSRTGUYAFGIW-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
1-[4-(3-Methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 785582
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6467947
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-(4-phenylpiperazin-1-YL)propan-1-one
CID 16028051
1-[4-(3,4-dichloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-(trifluoromethyl)pyrazole-4-sulfonamide
CID 162659567
N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 22204152
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 47083103
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
CID 47812992
4-ethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 51105930
1-(1-Phenylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxamide
CID 53540442

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide (CID 42283291) is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
The InChIKey is OXJSRTGUYAFGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-14-16(13-21(19-14)15-7-3-2-4-8-15)25(23,24)18-10-6-12-20-11-5-9-17(20)22/h2-4,7-8,13,18H,5-6,9-12H2,1H3.
What are the key properties of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide?
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide has a molecular weight of 362.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).