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

C25H20F4N6OS — CID 19411366

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

5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19411366) has the molecular formula C25H20F4N6OS and a molecular weight of 528.54 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19411366
• Molecular Formula: C25H20F4N6OS
• Molecular Weight: 528.54 g/mol
• Exact Mass: 528.14
• IUPAC Name: 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)n(Cc5ccccc5F)n4)cc3n2)s1
• InChI: InChI=1S/C25H20F4N6OS/c1-3-16-8-9-20(37-16)18-11-21(25(27,28)29)35-23(30-18)12-19(32-35)24(36)31-22-10-14(2)34(33-22)13-15-6-4-5-7-17(15)26/h4-12H,3,13H2,1-2H3,(H,31,33,36)
• InChIKey: WTXHILBPKNMVKF-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.54
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19411366) is 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)n(Cc5ccccc5F)n4)cc3n2)s1.

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

The InChIKey is WTXHILBPKNMVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N6OS/c1-3-16-8-9-20(37-16)18-11-21(25(27,28)29)35-23(30-18)12-19(32-35)24(36)31-22-10-14(2)34(33-22)13-15-6-4-5-7-17(15)26/h4-12H,3,13H2,1-2H3,(H,31,33,36).

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

5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 528.54 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-ethylthiophen-2-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19411366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).