1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea

C23H20FN5O4S — CID 155815275

IUPAC1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
SMILESCOc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H20FN5O4S/c1-33-19-10-2-15(3-11-19)22-21(28-23(30)27-17-6-4-16(24)5-7-17)14-26-29(22)18-8-12-20(13-9-18)34(25,31)32/h2-14H,1H3,(H2,25,31,32)(H2,27,28,30)
InChIKeyUMOPMRGHWWPZCT-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea

1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea (PubChem CID 155815275) has the molecular formula C23H20FN5O4S and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
PubChem CID155815275
Molecular FormulaC23H20FN5O4S
Molecular Weight481.51 g/mol
Exact Mass481.12
IUPAC Name1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
SMILESCOc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H20FN5O4S/c1-33-19-10-2-15(3-11-19)22-21(28-23(30)27-17-6-4-16(24)5-7-17)14-26-29(22)18-8-12-20(13-9-18)34(25,31)32/h2-14H,1H3,(H2,25,31,32)(H2,27,28,30)
InChIKeyUMOPMRGHWWPZCT-UHFFFAOYSA-N
XLogP3.98
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Phenyl-3-{3-[3-(4-trifluoromethoxy-phenyl)-ureido]-propyl}-pyrazol-1-yl)-benzenesulfonamide
CID 52951991
2-(5-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (17)
CID 86766216
N'-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
CID 5342483
N-{5-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-2-sulfamoyl-benzyl}-acetamide
CID 44364630
4-[3-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145971261
4-[5-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145975495
4-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145976141
3-(4-Methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carbothioamide
CID 52916654
4-[3-(4-Methoxyphenyl)-4-(phenyliminomethyl)pyrazol-1-yl]benzenesulfonamide
CID 72198212
4-[3-(4-Methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]pyrazol-1-yl]benzenesulfonamide
CID 72198213
4-[5-(4-Fluorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 171353208
1-(2,4-Difluorophenyl)-3-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]phenyl]urea
CID 172464080

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea (CID 155815275) is 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea is COc1ccc(-c2c(NC(=O)Nc3ccc(F)cc3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The InChIKey is UMOPMRGHWWPZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4S/c1-33-19-10-2-15(3-11-19)22-21(28-23(30)27-17-6-4-16(24)5-7-17)14-26-29(22)18-8-12-20(13-9-18)34(25,31)32/h2-14H,1H3,(H2,25,31,32)(H2,27,28,30).
What are the key properties of 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea has a molecular weight of 481.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea is sourced from PubChem (CID 155815275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).