N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C21H20N4O2S — CID 55722831

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55722831) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 55722831
• Molecular Formula: C21H20N4O2S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.13
• IUPAC Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: Cc1ccc(-n2ncc(C(=O)Nc3nc(-c4ccco4)cs3)c2C(C)C)cc1
• InChI: InChI=1S/C21H20N4O2S/c1-13(2)19-16(11-22-25(19)15-8-6-14(3)7-9-15)20(26)24-21-23-17(12-28-21)18-5-4-10-27-18/h4-13H,1-3H3,(H,23,24,26)
• InChIKey: FPORIMSOWYLBES-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55722831) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3nc(-c4ccco4)cs3)c2C(C)C)cc1.

What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is FPORIMSOWYLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13(2)19-16(11-22-25(19)15-8-6-14(3)7-9-15)20(26)24-21-23-17(12-28-21)18-5-4-10-27-18/h4-13H,1-3H3,(H,23,24,26).

What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55722831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).