5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C27H18ClF4N5O3 — CID 143816739

About 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 143816739) has the molecular formula C27H18ClF4N5O3 and a molecular weight of 571.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
• PubChem CID: 143816739
• Molecular Formula: C27H18ClF4N5O3
• Molecular Weight: 571.92 g/mol
• Exact Mass: 571.10
• IUPAC Name: 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
• SMILES: O=C1NC(=O)C(c2c(C(=O)NCc3ccc(C(F)(F)F)cc3)nn(-c3ccccc3F)c2-c2ccc(Cl)cc2)N1
• InChI: InChI=1S/C27H18ClF4N5O3/c28-17-11-7-15(8-12-17)23-20(21-25(39)35-26(40)34-21)22(36-37(23)19-4-2-1-3-18(19)29)24(38)33-13-14-5-9-16(10-6-14)27(30,31)32/h1-12,21H,13H2,(H,33,38)(H2,34,35,39,40)
• InChIKey: IREPCBTVPUKPPB-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 105.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.92
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 143816739) is 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is O=C1NC(=O)C(c2c(C(=O)NCc3ccc(C(F)(F)F)cc3)nn(-c3ccccc3F)c2-c2ccc(Cl)cc2)N1.

What is the InChIKey of 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?

The InChIKey is IREPCBTVPUKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF4N5O3/c28-17-11-7-15(8-12-17)23-20(21-25(39)35-26(40)34-21)22(36-37(23)19-4-2-1-3-18(19)29)24(38)33-13-14-5-9-16(10-6-14)27(30,31)32/h1-12,21H,13H2,(H,33,38)(H2,34,35,39,40).

What are the key properties of 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?

5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 571.92 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-4-(2,5-dioxoimidazolidin-4-yl)-1-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 143816739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).