5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H20F3N7O3S — CID 19400583

About 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19400583) has the molecular formula C24H20F3N7O3S and a molecular weight of 543.53 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19400583
• Molecular Formula: C24H20F3N7O3S
• Molecular Weight: 543.53 g/mol
• Exact Mass: 543.13
• IUPAC Name: 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(C)nc4C(=O)NCc4ccco4)cc3n2)s1
• InChI: InChI=1S/C24H20F3N7O3S/c1-3-14-6-7-18(38-14)15-9-19(24(25,26)27)34-20(29-15)10-16(31-34)22(35)30-17-12-33(2)32-21(17)23(36)28-11-13-5-4-8-37-13/h4-10,12H,3,11H2,1-2H3,(H,28,36)(H,30,35)
• InChIKey: KSEGVFUCPVYTEA-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 119.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.53
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19400583) is 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(C)nc4C(=O)NCc4ccco4)cc3n2)s1.

What is the InChIKey of 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is KSEGVFUCPVYTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O3S/c1-3-14-6-7-18(38-14)15-9-19(24(25,26)27)34-20(29-15)10-16(31-34)22(35)30-17-12-33(2)32-21(17)23(36)28-11-13-5-4-8-37-13/h4-10,12H,3,11H2,1-2H3,(H,28,36)(H,30,35).

What are the key properties of 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 543.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-ethylthiophen-2-yl)-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19400583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).