4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one

C11H14N4O3S — CID 136771755

IUPAC4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
SMILESCC(c1nc(-c2cnn(C)c2)cc(=O)[nH]1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O3S/c1-7(19(3,17)18)11-13-9(4-10(16)14-11)8-5-12-15(2)6-8/h4-7H,1-3H3,(H,13,14,16)
InChIKeyRAYRREWEMAQZDS-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.28
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one

4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one (PubChem CID 136771755) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
PubChem CID136771755
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
SMILESCC(c1nc(-c2cnn(C)c2)cc(=O)[nH]1)S(C)(=O)=O
InChIInChI=1S/C11H14N4O3S/c1-7(19(3,17)18)11-13-9(4-10(16)14-11)8-5-12-15(2)6-8/h4-7H,1-3H3,(H,13,14,16)
InChIKeyRAYRREWEMAQZDS-UHFFFAOYSA-N
XLogP0.28
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980837
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771714
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136980831
2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771836
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
2-(4-bromo-3-chlorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136782050
2-(3-bromo-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771732
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one (CID 136771755) is 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one is CC(c1nc(-c2cnn(C)c2)cc(=O)[nH]1)S(C)(=O)=O.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one?
The InChIKey is RAYRREWEMAQZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7(19(3,17)18)11-13-9(4-10(16)14-11)8-5-12-15(2)6-8/h4-7H,1-3H3,(H,13,14,16).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one?
4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one has a molecular weight of 282.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).