1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide

C23H26ClF3N6O3S — CID 10099301

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide (PubChem CID 10099301) has the molecular formula C23H26ClF3N6O3S and a molecular weight of 559.01 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide
• PubChem CID: 10099301
• Molecular Formula: C23H26ClF3N6O3S
• Molecular Weight: 559.01 g/mol
• Exact Mass: 558.14
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide
• SMILES: CC(C)N1CCC(NC(=O)c2cc(C(=O)NCC(F)(F)F)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1
• InChI: InChI=1S/C23H26ClF3N6O3S/c1-13(2)32-7-5-14(6-8-32)29-22(35)17-10-16(21(34)28-12-23(25,26)27)30-33(17)11-15-9-18(36-31-15)19-3-4-20(24)37-19/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,28,34)(H,29,35)
• InChIKey: GZFSBZUYTICATA-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 105.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.01
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide?

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide (CID 10099301) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide.

What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide?

The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide is CC(C)N1CCC(NC(=O)c2cc(C(=O)NCC(F)(F)F)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1.

What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide?

The InChIKey is GZFSBZUYTICATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N6O3S/c1-13(2)32-7-5-14(6-8-32)29-22(35)17-10-16(21(34)28-12-23(25,26)27)30-33(17)11-15-9-18(36-31-15)19-3-4-20(24)37-19/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,28,34)(H,29,35).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide?

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide has a molecular weight of 559.01 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-N-(1-propan-2-ylpiperidin-4-yl)-3-N-(2,2,2-trifluoroethyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 10099301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).