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

C16H20N4O4S — CID 13224088

IUPAC1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C16H20N4O4S/c1-4-9-17-16(22)19-25(23,24)14-7-5-13(6-8-14)15(21)20-12(3)10-11(2)18-20/h5-8,10H,4,9H2,1-3H3,(H2,17,19,22)
InChIKeyVLYDREGLOYURAM-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.59
Rot. Bonds5

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

1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea (PubChem CID 13224088) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea
PubChem CID13224088
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C16H20N4O4S/c1-4-9-17-16(22)19-25(23,24)14-7-5-13(6-8-14)15(21)20-12(3)10-11(2)18-20/h5-8,10H,4,9H2,1-3H3,(H2,17,19,22)
InChIKeyVLYDREGLOYURAM-UHFFFAOYSA-N
XLogP1.59
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
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CID 894979
4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135731907
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137
3,5-Dimethylpyrazolyl 3-(pyrrolidinylsulfonyl)phenyl ketone
CID 2130720
1-(3,5-Dimethylpyrazolyl)-4-{methyl[(4-methylphenyl)sulfonyl]amino}butan-1-one
CID 2200267
N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354077
3,5-Dimethylpyrazolyl 4-{[(oxolan-2-ylmethyl)amino]sulfonyl}phenyl ketone
CID 2946188
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 4290489
[4-(Azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(2,6-difluorophenyl)methanone
CID 7216890

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea?
The IUPAC name of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea (CID 13224088) is 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea is CCCNC(=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-propylurea?
The InChIKey is VLYDREGLOYURAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-4-9-17-16(22)19-25(23,24)14-7-5-13(6-8-14)15(21)20-12(3)10-11(2)18-20/h5-8,10H,4,9H2,1-3H3,(H2,17,19,22).
What are the key properties of 1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea?
1-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-3-propylurea has a molecular weight of 364.43 g/mol, XLogP of 1.59, 5 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-propylurea is sourced from PubChem (CID 13224088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).