1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea

C15H20N4O3S — CID 12530660

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-4-9-16-15(20)18-23(21,22)14-7-5-13(6-8-14)19-12(3)10-11(2)17-19/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20)
InChIKeyHPSULEIOEXPUPL-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.89
Rot. Bonds5

About 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea

1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea (PubChem CID 12530660) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea
PubChem CID12530660
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-4-9-16-15(20)18-23(21,22)14-7-5-13(6-8-14)19-12(3)10-11(2)17-19/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20)
InChIKeyHPSULEIOEXPUPL-UHFFFAOYSA-N
XLogP1.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea (CID 12530660) is 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea?
The InChIKey is HPSULEIOEXPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-4-9-16-15(20)18-23(21,22)14-7-5-13(6-8-14)19-12(3)10-11(2)17-19/h5-8,10H,4,9H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea?
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea has a molecular weight of 336.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-propylurea is sourced from PubChem (CID 12530660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).