1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide

C9H11N5O4S — CID 43540611

IUPAC1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cn[nH]c2)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N5O4S/c1-13-5-7(8(15)14(2)9(13)16)19(17,18)12-6-3-10-11-4-6/h3-5,12H,1-2H3,(H,10,11)
InChIKeyMUZVBIKXQQWIMJ-UHFFFAOYSA-N
MW285.29 g/mol
LogP-1.39
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide (PubChem CID 43540611) has the molecular formula C9H11N5O4S and a molecular weight of 285.29 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
PubChem CID43540611
Molecular FormulaC9H11N5O4S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cn[nH]c2)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N5O4S/c1-13-5-7(8(15)14(2)9(13)16)19(17,18)12-6-3-10-11-4-6/h3-5,12H,1-2H3,(H,10,11)
InChIKeyMUZVBIKXQQWIMJ-UHFFFAOYSA-N
XLogP-1.39
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196326
N-(4-bromophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475132
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196374
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 115916977
N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60783708
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 75398626
N-(2-chloro-3-pyridinyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 103604457
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide (CID 43540611) is 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)Nc2cn[nH]c2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide?
The InChIKey is MUZVBIKXQQWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c1-13-5-7(8(15)14(2)9(13)16)19(17,18)12-6-3-10-11-4-6/h3-5,12H,1-2H3,(H,10,11).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43540611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).