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

C11H15N5O4S — CID 115916977

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C
InChIInChI=1S/C11H15N5O4S/c1-6-7(2)12-13-9(6)14-21(19,20)8-5-15(3)11(18)16(4)10(8)17/h5H,1-4H3,(H2,12,13,14)
InChIKeyRVVXJLNBFVFFBV-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.78
Rot. Bonds3

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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 115916977) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID115916977
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C
InChIInChI=1S/C11H15N5O4S/c1-6-7(2)12-13-9(6)14-21(19,20)8-5-15(3)11(18)16(4)10(8)17/h5H,1-4H3,(H2,12,13,14)
InChIKeyRVVXJLNBFVFFBV-UHFFFAOYSA-N
XLogP-0.78
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 43540611
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
N-(3-chloro-2-methylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7196405
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
2,5-dibromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112699522
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-dimethylbenzenesulfonamide
CID 104617090
N-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 7475140
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60783708
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 115750918
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 75398626

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 115916977) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cc1[nH]nc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is RVVXJLNBFVFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-6-7(2)12-13-9(6)14-21(19,20)8-5-15(3)11(18)16(4)10(8)17/h5H,1-4H3,(H2,12,13,14).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 313.34 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 115916977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).