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

C20H17N5O4S — CID 42285100

IUPAC1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
SMILESO=c1[nH]cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H17N5O4S/c26-19-16(11-21-20(27)22-19)24-30(28,29)17-13-25(12-14-7-3-1-4-8-14)23-18(17)15-9-5-2-6-10-15/h1-11,13,24H,12H2,(H2,21,22,26,27)
InChIKeyUZMXSQVSWJAZBC-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.78
Rot. Bonds6

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

1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide (PubChem CID 42285100) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
PubChem CID42285100
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC Name1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
SMILESO=c1[nH]cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H17N5O4S/c26-19-16(11-21-20(27)22-19)24-30(28,29)17-13-25(12-14-7-3-1-4-8-14)23-18(17)15-9-5-2-6-10-15/h1-11,13,24H,12H2,(H2,21,22,26,27)
InChIKeyUZMXSQVSWJAZBC-UHFFFAOYSA-N
XLogP1.78
TPSA129.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284888
1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
CID 42348254
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
CID 42348521
1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285090
1-benzyl-N-(2,2-diethoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42348312
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
1-benzyl-N-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285422
5-(1-benzyltriazol-4-yl)-1H-pyrimidine-2,4-dione
CID 122373099
1-benzyl-3-tert-butyl-N-(2,5-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284483
1-benzyl-N-(4-bromo-2-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285432
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide (CID 42285100) is 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide is O=c1[nH]cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide?
The InChIKey is UZMXSQVSWJAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c26-19-16(11-21-20(27)22-19)24-30(28,29)17-13-25(12-14-7-3-1-4-8-14)23-18(17)15-9-5-2-6-10-15/h1-11,13,24H,12H2,(H2,21,22,26,27).
What are the key properties of 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide?
1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide has a molecular weight of 423.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).