2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide

C11H15N5O4S — CID 81336433

IUPAC2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
SMILESCC(C)n1ccc(Cn2cc(S(N)(=O)=O)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H15N5O4S/c1-7(2)16-4-3-8(14-16)5-15-6-9(21(12,19)20)10(17)13-11(15)18/h3-4,6-7H,5H2,1-2H3,(H2,12,19,20)(H,13,17,18)
InChIKeyZRPQHXFVKIEXIG-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.99
Rot. Bonds4

About 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide

2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide (PubChem CID 81336433) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
PubChem CID81336433
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
SMILESCC(C)n1ccc(Cn2cc(S(N)(=O)=O)c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H15N5O4S/c1-7(2)16-4-3-8(14-16)5-15-6-9(21(12,19)20)10(17)13-11(15)18/h3-4,6-7H,5H2,1-2H3,(H2,12,19,20)(H,13,17,18)
InChIKeyZRPQHXFVKIEXIG-UHFFFAOYSA-N
XLogP-0.99
TPSA132.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-Methylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 142623349
6-chloro-5-fluoro-3-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104369287
6-chloro-5-fluoro-3-[(1-methylpyrazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104370008
5-Fluoro-6-hydroxy-1-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 112600871
5-Fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 112601556
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2,4-dioxopyrimidine-5-sulfonamide
CID 167939357
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 31974734
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 42282260
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 42282279
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
1-cyclopentyl-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylpyrazole-4-sulfonamide
CID 42282807

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide (CID 81336433) is 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide is CC(C)n1ccc(Cn2cc(S(N)(=O)=O)c(=O)[nH]c2=O)n1.
What is the InChIKey of 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is ZRPQHXFVKIEXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-7(2)16-4-3-8(14-16)5-15-6-9(21(12,19)20)10(17)13-11(15)18/h3-4,6-7H,5H2,1-2H3,(H2,12,19,20)(H,13,17,18).
What are the key properties of 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide?
2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 313.34 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 81336433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).