2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one

C14H12N4O3S — CID 59280215

IUPAC2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCS(=O)(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C14H12N4O3S/c1-22(20,21)11-4-5-13(16-8-11)18-14(19)12(9-17-18)10-3-2-6-15-7-10/h2-9,17H,1H3
InChIKeyGFJFLZUMTDHCSZ-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.03
Rot. Bonds3

About 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one

2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 59280215) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID59280215
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESCS(=O)(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C14H12N4O3S/c1-22(20,21)11-4-5-13(16-8-11)18-14(19)12(9-17-18)10-3-2-6-15-7-10/h2-9,17H,1H3
InChIKeyGFJFLZUMTDHCSZ-UHFFFAOYSA-N
XLogP1.03
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Pyridin-2-yl-4-pyridin-3-yl-1,2-dihydro-3H-pyrazol-3-one
CID 59186947
4-[2-(5-methylsulfonyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]benzonitrile
CID 156860285
4-(2-methyl-3-pyridinyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 59186952
2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
CID 68808100
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide
CID 59186933
2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
CID 59186942
5-[2-(4-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]pyridine-3-carbonitrile
CID 59280209
N-[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 118238017
N-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 118249076
N-[4-(6-amino-5-ethylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 118249091
N-[4-(6-amino-5-propan-2-ylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 118293461
2-(5-methylsulfonyl-2-pyridinyl)-5-phenyl-1H-pyrazol-3-one
CID 156016903

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one (CID 59280215) is 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one is CS(=O)(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1.
What is the InChIKey of 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is GFJFLZUMTDHCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-22(20,21)11-4-5-13(16-8-11)18-14(19)12(9-17-18)10-3-2-6-15-7-10/h2-9,17H,1H3.
What are the key properties of 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one?
2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 316.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfonyl-2-pyridinyl)-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59280215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).