3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide

C18H24N4O3S — CID 45203503

IUPAC3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C18H24N4O3S/c1-13-18(14(2)20-19-13)26(24,25)21-16-11-17(23)22(12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16,21H,6,9-12H2,1-2H3,(H,19,20)
InChIKeySNSXHANTJVLGNL-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.54
Rot. Bonds7

About 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 45203503) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
PubChem CID45203503
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C18H24N4O3S/c1-13-18(14(2)20-19-13)26(24,25)21-16-11-17(23)22(12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16,21H,6,9-12H2,1-2H3,(H,19,20)
InChIKeySNSXHANTJVLGNL-UHFFFAOYSA-N
XLogP1.54
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 110640246
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 25377158
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 42193458
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279
N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104693811
3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 110735903
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 42381458
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide (CID 45203503) is 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SNSXHANTJVLGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-18(14(2)20-19-13)26(24,25)21-16-11-17(23)22(12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16,21H,6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 45203503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).