7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H23FN4O — CID 135551178

About 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135551178) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135551178
• Molecular Formula: C27H23FN4O
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.19
• IUPAC Name: 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cnn3c2NC(c2ccc(C)cc2)=CC3c2ccccc2F)cc1
• InChI: InChI=1S/C27H23FN4O/c1-17-7-11-19(12-8-17)24-15-25(21-5-3-4-6-23(21)28)32-26(31-24)22(16-29-32)27(33)30-20-13-9-18(2)10-14-20/h3-16,25,31H,1-2H3,(H,30,33)
• InChIKey: FCVOFBONVKWYBP-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135551178) is 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c2NC(c2ccc(C)cc2)=CC3c2ccccc2F)cc1.

What is the InChIKey of 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FCVOFBONVKWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c1-17-7-11-19(12-8-17)24-15-25(21-5-3-4-6-23(21)28)32-26(31-24)22(16-29-32)27(33)30-20-13-9-18(2)10-14-20/h3-16,25,31H,1-2H3,(H,30,33).

What are the key properties of 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-fluorophenyl)-N,5-bis(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135551178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).