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

C23H26N4O3S — CID 42348521

IUPAC1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4O3S/c28-22-13-7-15-26(22)16-8-14-24-31(29,30)21-18-27(17-19-9-3-1-4-10-19)25-23(21)20-11-5-2-6-12-20/h1-6,9-12,18,24H,7-8,13-17H2
InChIKeyCSRPFXDWPNJMAD-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.89
Rot. Bonds9

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

1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide (PubChem CID 42348521) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
PubChem CID42348521
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
SMILESO=C1CCCN1CCCNS(=O)(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N4O3S/c28-22-13-7-15-26(22)16-8-14-24-31(29,30)21-18-27(17-19-9-3-1-4-10-19)25-23(21)20-11-5-2-6-12-20/h1-6,9-12,18,24H,7-8,13-17H2
InChIKeyCSRPFXDWPNJMAD-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.89
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

3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 42283291
1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
CID 42348254
1-benzyl-N-(2,2-diethoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42348312
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
2,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3729717
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285100
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30767142
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide (CID 42348521) is 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide is O=C1CCCN1CCCNS(=O)(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide?
The InChIKey is CSRPFXDWPNJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-22-13-7-15-26(22)16-8-14-24-31(29,30)21-18-27(17-19-9-3-1-4-10-19)25-23(21)20-11-5-2-6-12-20/h1-6,9-12,18,24H,7-8,13-17H2.
What are the key properties of 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide?
1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42348521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).