2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C28H20ClFN4O — CID 18674072

IUPAC2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C28H20ClFN4O/c29-24-9-5-4-6-21(24)18-25(35)32-28-26(19-14-16-31-17-15-19)27(20-10-12-22(30)13-11-20)33-34(28)23-7-2-1-3-8-23/h1-17H,18H2,(H,32,35)
InChIKeyBXPIBBQIFDBPBT-UHFFFAOYSA-N
MW482.95 g/mol
LogP6.57
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674072) has the molecular formula C28H20ClFN4O and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674072
Molecular FormulaC28H20ClFN4O
Molecular Weight482.95 g/mol
Exact Mass482.13
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C28H20ClFN4O/c29-24-9-5-4-6-21(24)18-25(35)32-28-26(19-14-16-31-17-15-19)27(20-10-12-22(30)13-11-20)33-34(28)23-7-2-1-3-8-23/h1-17H,18H2,(H,32,35)
InChIKeyBXPIBBQIFDBPBT-UHFFFAOYSA-N
XLogP6.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide 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 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674072) is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is BXPIBBQIFDBPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClFN4O/c29-24-9-5-4-6-21(24)18-25(35)32-28-26(19-14-16-31-17-15-19)27(20-10-12-22(30)13-11-20)33-34(28)23-7-2-1-3-8-23/h1-17H,18H2,(H,32,35).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 482.95 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).