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

C9H11N5O4S — CID 43547502

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O4S/c1-4-7(5(2)13-12-4)14-19(17,18)6-3-10-9(16)11-8(6)15/h3,14H,1-2H3,(H,12,13)(H2,10,11,15,16)
InChIKeyPAXVKOPVADQAHV-UHFFFAOYSA-N
MW285.29 g/mol
LogP-0.80
Rot. Bonds3

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 43547502) has the molecular formula C9H11N5O4S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID43547502
Molecular FormulaC9H11N5O4S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11N5O4S/c1-4-7(5(2)13-12-4)14-19(17,18)6-3-10-9(16)11-8(6)15/h3,14H,1-2H3,(H,12,13)(H2,10,11,15,16)
InChIKeyPAXVKOPVADQAHV-UHFFFAOYSA-N
XLogP-0.80
TPSA140.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 43547502) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is PAXVKOPVADQAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c1-4-7(5(2)13-12-4)14-19(17,18)6-3-10-9(16)11-8(6)15/h3,14H,1-2H3,(H,12,13)(H2,10,11,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 285.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 43547502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).