5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H25F3N4O2 — CID 51388544

About 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51388544) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 51388544
• Molecular Formula: C25H25F3N4O2
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.19
• IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)[C@H](C)CCc4ccco4)cc3n2)cc1C
• InChI: InChI=1S/C25H25F3N4O2/c1-15-7-9-18(12-16(15)2)20-13-22(25(26,27)28)32-23(29-20)14-21(30-32)24(33)31(4)17(3)8-10-19-6-5-11-34-19/h5-7,9,11-14,17H,8,10H2,1-4H3/t17-/m1/s1
• InChIKey: ZZNSVMXYJIQAPX-QGZVFWFLSA-N
• XLogP: 5.72
• TPSA: 63.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 51388544) is 5-(3,4-dimethylphenyl)-N-[(2R)-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-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(C)[C@H](C)CCc4ccco4)cc3n2)cc1C.

What is the InChIKey of 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is ZZNSVMXYJIQAPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-15-7-9-18(12-16(15)2)20-13-22(25(26,27)28)32-23(29-20)14-21(30-32)24(33)31(4)17(3)8-10-19-6-5-11-34-19/h5-7,9,11-14,17H,8,10H2,1-4H3/t17-/m1/s1.

What are the key properties of 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51388544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).