6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19FN4O2 — CID 3396114

About 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3396114) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 3396114
• Molecular Formula: C21H19FN4O2
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.15
• IUPAC Name: 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1ccc(F)cc1
• InChI: InChI=1S/C21H19FN4O2/c1-13-18(10-15-5-7-16(22)8-6-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-4-3-9-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27)
• InChIKey: UOLJKFBVYGUQJJ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 72.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3396114) is 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1ccc(F)cc1.

What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UOLJKFBVYGUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-18(10-15-5-7-16(22)8-6-15)14(2)26-20(25-13)19(12-24-26)21(27)23-11-17-4-3-9-28-17/h3-9,12H,10-11H2,1-2H3,(H,23,27).

What are the key properties of 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3396114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).