1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea

C22H14Cl4N4O — CID 3731271

IUPAC1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C22H14Cl4N4O/c23-14-6-8-16(9-7-14)28-22(31)29-19-12-27-30(20(19)13-4-2-1-3-5-13)21-17(25)10-15(24)11-18(21)26/h1-12H,(H2,28,29,31)
InChIKeyZGOMAPVVIXYGAU-UHFFFAOYSA-N
MW492.19 g/mol
LogP7.80
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea

1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea (PubChem CID 3731271) has the molecular formula C22H14Cl4N4O and a molecular weight of 492.19 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea
PubChem CID3731271
Molecular FormulaC22H14Cl4N4O
Molecular Weight492.19 g/mol
Exact Mass489.99
IUPAC Name1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C22H14Cl4N4O/c23-14-6-8-16(9-7-14)28-22(31)29-19-12-27-30(20(19)13-4-2-1-3-5-13)21-17(25)10-15(24)11-18(21)26/h1-12H,(H2,28,29,31)
InChIKeyZGOMAPVVIXYGAU-UHFFFAOYSA-N
XLogP7.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea
CID 3731288
1-(4-methoxyphenyl)-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
CID 155815132
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
1-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3,4-dichlorophenyl)urea
CID 21104983
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(6-chloro-4-phenylquinolin-3-yl)-3-(4-fluorophenyl)urea
CID 10453084
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea
CID 10193666
1-(3-chlorophenyl)-3-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]urea
CID 21105015
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 2738352
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea (CID 3731271) is 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cnn(-c2c(Cl)cc(Cl)cc2Cl)c1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea?
The InChIKey is ZGOMAPVVIXYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4N4O/c23-14-6-8-16(9-7-14)28-22(31)29-19-12-27-30(20(19)13-4-2-1-3-5-13)21-17(25)10-15(24)11-18(21)26/h1-12H,(H2,28,29,31).
What are the key properties of 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea?
1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea has a molecular weight of 492.19 g/mol, XLogP of 7.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-phenyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]urea is sourced from PubChem (CID 3731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).