6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H19N3O3S — CID 67376257

IUPAC6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C19H19N3O3S/c23-19-17-11-12-21(26(24,25)16-9-5-2-6-10-16)14-18(17)20-22(19)13-15-7-3-1-4-8-15/h1-10,20H,11-14H2
InChIKeyWRVKZEFTJHZZPK-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.97
Rot. Bonds4

About 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67376257) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67376257
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C19H19N3O3S/c23-19-17-11-12-21(26(24,25)16-9-5-2-6-10-16)14-18(17)20-22(19)13-15-7-3-1-4-8-15/h1-10,20H,11-14H2
InChIKeyWRVKZEFTJHZZPK-UHFFFAOYSA-N
XLogP1.97
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67376257) is 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is WRVKZEFTJHZZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19-17-11-12-21(26(24,25)16-9-5-2-6-10-16)14-18(17)20-22(19)13-15-7-3-1-4-8-15/h1-10,20H,11-14H2.
What are the key properties of 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 369.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-2-benzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67376257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).