N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide

C9H11N5O4S — CID 42282279

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O4S/c1-5-7(4-14(2)12-5)19(17,18)13-6-3-10-9(16)11-8(6)15/h3-4,13H,1-2H3,(H2,10,11,15,16)
InChIKeyVWSIORJJIPYUEC-UHFFFAOYSA-N
MW285.29 g/mol
LogP-1.09
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 42282279) has the molecular formula C9H11N5O4S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID42282279
Molecular FormulaC9H11N5O4S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O4S/c1-5-7(4-14(2)12-5)19(17,18)13-6-3-10-9(16)11-8(6)15/h3-4,13H,1-2H3,(H2,10,11,15,16)
InChIKeyVWSIORJJIPYUEC-UHFFFAOYSA-N
XLogP-1.09
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide (CID 42282279) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is VWSIORJJIPYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c1-5-7(4-14(2)12-5)19(17,18)13-6-3-10-9(16)11-8(6)15/h3-4,13H,1-2H3,(H2,10,11,15,16).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).