N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C25H19N5OS — CID 46527452

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 46527452) has the molecular formula C25H19N5OS and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
• PubChem CID: 46527452
• Molecular Formula: C25H19N5OS
• Molecular Weight: 437.53 g/mol
• Exact Mass: 437.13
• IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
• SMILES: Cc1nc(-c2cccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)c2)cs1
• InChI: InChI=1S/C25H19N5OS/c1-17-27-23(16-32-17)18-7-5-9-20(13-18)28-25(31)22-15-30(21-10-3-2-4-11-21)29-24(22)19-8-6-12-26-14-19/h2-16H,1H3,(H,28,31)
• InChIKey: CPGJFOWYBLWUHY-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.53
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 46527452) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)c2)cs1.

What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

The InChIKey is CPGJFOWYBLWUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS/c1-17-27-23(16-32-17)18-7-5-9-20(13-18)28-25(31)22-15-30(21-10-3-2-4-11-21)29-24(22)19-8-6-12-26-14-19/h2-16H,1H3,(H,28,31).

What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46527452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).