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

C15H18N4O4S — CID 13224087

IUPAC1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H18N4O4S/c1-4-16-15(21)18-24(22,23)13-7-5-12(6-8-13)14(20)19-11(3)9-10(2)17-19/h5-9H,4H2,1-3H3,(H2,16,18,21)
InChIKeySWFZJEPBUZRAPL-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.20
Rot. Bonds4

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

1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea (PubChem CID 13224087) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
PubChem CID13224087
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea
SMILESCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H18N4O4S/c1-4-16-15(21)18-24(22,23)13-7-5-12(6-8-13)14(20)19-11(3)9-10(2)17-19/h5-9H,4H2,1-3H3,(H2,16,18,21)
InChIKeySWFZJEPBUZRAPL-UHFFFAOYSA-N
XLogP1.20
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
The IUPAC name of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea (CID 13224087) is 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea is CCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
The InChIKey is SWFZJEPBUZRAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-4-16-15(21)18-24(22,23)13-7-5-12(6-8-13)14(20)19-11(3)9-10(2)17-19/h5-9H,4H2,1-3H3,(H2,16,18,21).
What are the key properties of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea?
1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea has a molecular weight of 350.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-ethylurea is sourced from PubChem (CID 13224087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).