5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C24H15ClF5N3O2 — CID 21294624

IUPAC5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cc(F)c2c(c1)C(F)(F)C(F)(F)O2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H15ClF5N3O2/c25-15-8-6-14(7-9-15)20-17(13-4-2-1-3-5-13)12-33(32-20)22(34)31-16-10-18-21(19(26)11-16)35-24(29,30)23(18,27)28/h1-11,17H,12H2,(H,31,34)
InChIKeyBCUZRRRFRWRLON-UHFFFAOYSA-N
MW507.85 g/mol
LogP6.59
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 21294624) has the molecular formula C24H15ClF5N3O2 and a molecular weight of 507.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID21294624
Molecular FormulaC24H15ClF5N3O2
Molecular Weight507.85 g/mol
Exact Mass507.08
IUPAC Name5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cc(F)c2c(c1)C(F)(F)C(F)(F)O2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H15ClF5N3O2/c25-15-8-6-14(7-9-15)20-17(13-4-2-1-3-5-13)12-33(32-20)22(34)31-16-10-18-21(19(26)11-16)35-24(29,30)23(18,27)28/h1-11,17H,12H2,(H,31,34)
InChIKeyBCUZRRRFRWRLON-UHFFFAOYSA-N
XLogP6.59
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.85
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 21294624) is 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cc(F)c2c(c1)C(F)(F)C(F)(F)O2)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is BCUZRRRFRWRLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF5N3O2/c25-15-8-6-14(7-9-15)20-17(13-4-2-1-3-5-13)12-33(32-20)22(34)31-16-10-18-21(19(26)11-16)35-24(29,30)23(18,27)28/h1-11,17H,12H2,(H,31,34).
What are the key properties of 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 507.85 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,2,3,3,7-pentafluoro-1-benzofuran-5-yl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 21294624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).