5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H20F4N4O2 — CID 19440969

About 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440969) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19440969
• Molecular Formula: C23H20F4N4O2
• Molecular Weight: 460.43 g/mol
• Exact Mass: 460.15
• IUPAC Name: 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CC(CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1
• InChI: InChI=1S/C23H20F4N4O2/c1-14(5-10-17-4-3-11-33-17)30(2)22(32)19-13-21-28-18(15-6-8-16(24)9-7-15)12-20(23(25,26)27)31(21)29-19/h3-4,6-9,11-14H,5,10H2,1-2H3
• InChIKey: DOLXSLQOCZEXGD-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.43
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440969) is 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is DOLXSLQOCZEXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c1-14(5-10-17-4-3-11-33-17)30(2)22(32)19-13-21-28-18(15-6-8-16(24)9-7-15)12-20(23(25,26)27)31(21)29-19/h3-4,6-9,11-14H,5,10H2,1-2H3.

What are the key properties of 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).