1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea

C19H19N5O4S — CID 22505514

IUPAC1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea
SMILESC=CC(N(O)C(N)=O)n1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C19H19N5O4S/c1-2-17(24(26)19(20)25)23-12-15(13-8-4-3-5-9-13)18(22-23)14-10-6-7-11-16(14)29(21,27)28/h2-12,17,26H,1H2,(H2,20,25)(H2,21,27,28)
InChIKeyUFYIZAREUAHASX-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.32
Rot. Bonds6

About 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea

1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea (PubChem CID 22505514) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea
PubChem CID22505514
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea
SMILESC=CC(N(O)C(N)=O)n1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C19H19N5O4S/c1-2-17(24(26)19(20)25)23-12-15(13-8-4-3-5-9-13)18(22-23)14-10-6-7-11-16(14)29(21,27)28/h2-12,17,26H,1H2,(H2,20,25)(H2,21,27,28)
InChIKeyUFYIZAREUAHASX-UHFFFAOYSA-N
XLogP2.32
TPSA144.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea (CID 22505514) is 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea is C=CC(N(O)C(N)=O)n1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea?
The InChIKey is UFYIZAREUAHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-2-17(24(26)19(20)25)23-12-15(13-8-4-3-5-9-13)18(22-23)14-10-6-7-11-16(14)29(21,27)28/h2-12,17,26H,1H2,(H2,20,25)(H2,21,27,28).
What are the key properties of 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea?
1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea has a molecular weight of 413.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[4-phenyl-3-(2-sulfamoylphenyl)pyrazol-1-yl]prop-2-enyl]urea is sourced from PubChem (CID 22505514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).