5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C19H19N3O3S — CID 53358167

IUPAC5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCc3[nH]n(-c4ccccc4)c(=O)c3C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)26(24,25)21-12-11-18-17(13-21)19(23)22(20-18)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKeyCQTTYEHPKJSPLG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.22
Rot. Bonds3

About 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 53358167) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID53358167
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCc3[nH]n(-c4ccccc4)c(=O)c3C2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)26(24,25)21-12-11-18-17(13-21)19(23)22(20-18)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKeyCQTTYEHPKJSPLG-UHFFFAOYSA-N
XLogP2.22
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 53358167) is 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is Cc1ccc(S(=O)(=O)N2CCc3[nH]n(-c4ccccc4)c(=O)c3C2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is CQTTYEHPKJSPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)26(24,25)21-12-11-18-17(13-21)19(23)22(20-18)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3.
What are the key properties of 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 369.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 53358167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).