1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide

C21H25N5O3S — CID 135355173

IUPAC1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C21H25N5O3S/c1-22-30(28,29)18-8-9-25(14-18)20-10-21(27)24(2)15-19(20)17-11-23-26(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,13,15,18,22H,8-9,12,14H2,1-2H3
InChIKeyHYEBJPKHSMSVLG-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.42
Rot. Bonds6

About 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide

1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 135355173) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID135355173
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C21H25N5O3S/c1-22-30(28,29)18-8-9-25(14-18)20-10-21(27)24(2)15-19(20)17-11-23-26(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,13,15,18,22H,8-9,12,14H2,1-2H3
InChIKeyHYEBJPKHSMSVLG-UHFFFAOYSA-N
XLogP1.42
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide (CID 135355173) is 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(c2cc(=O)n(C)cc2-c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is HYEBJPKHSMSVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-22-30(28,29)18-8-9-25(14-18)20-10-21(27)24(2)15-19(20)17-11-23-26(13-17)12-16-6-4-3-5-7-16/h3-7,10-11,13,15,18,22H,8-9,12,14H2,1-2H3.
What are the key properties of 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide?
1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 135355173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).