1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea

C15H17BrN4O4S — CID 13224093

IUPAC1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C15H17BrN4O4S/c1-4-17-15(22)19-25(23,24)12-7-5-11(6-8-12)14(21)20-10(3)13(16)9(2)18-20/h5-8H,4H2,1-3H3,(H2,17,19,22)
InChIKeyWWHSYTISUJOQJN-UHFFFAOYSA-N
MW429.30 g/mol
LogP1.96
Rot. Bonds4

About 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea

1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea (PubChem CID 13224093) has the molecular formula C15H17BrN4O4S and a molecular weight of 429.30 g/mol. Its IUPAC name is 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
PubChem CID13224093
Molecular FormulaC15H17BrN4O4S
Molecular Weight429.30 g/mol
Exact Mass428.02
IUPAC Name1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)c(Br)c2C)cc1
InChIInChI=1S/C15H17BrN4O4S/c1-4-17-15(22)19-25(23,24)12-7-5-11(6-8-12)14(21)20-10(3)13(16)9(2)18-20/h5-8H,4H2,1-3H3,(H2,17,19,22)
InChIKeyWWHSYTISUJOQJN-UHFFFAOYSA-N
XLogP1.96
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 894979
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
1-[4-(3,5-Dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
CID 13224087
1-[4-(3,5-Dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea
CID 13224088
1-Butyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
CID 13224089
1-Cyclohexyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
CID 13224090
1-[4-(3,5-Dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-phenylurea
CID 13224091
1-Benzyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
CID 13224092
1-[4-(4-Bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-cyclohexylurea
CID 13224094
1-[4-(4-Bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-phenylurea
CID 13224095
1-Benzyl-3-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea
CID 13224096
4-piperidin-1-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 17508095

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
The IUPAC name of 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea (CID 13224093) is 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea.
What is the SMILES notation for 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
The canonical SMILES for 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea is CCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)c(Br)c2C)cc1.
What is the InChIKey of 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
The InChIKey is WWHSYTISUJOQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O4S/c1-4-17-15(22)19-25(23,24)12-7-5-11(6-8-12)14(21)20-10(3)13(16)9(2)18-20/h5-8H,4H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea has a molecular weight of 429.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea is sourced from PubChem (CID 13224093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).