5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H21F6N7O2 — CID 19338817

About 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19338817) has the molecular formula C25H21F6N7O2 and a molecular weight of 565.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19338817
• Molecular Formula: C25H21F6N7O2
• Molecular Weight: 565.48 g/mol
• Exact Mass: 565.17
• IUPAC Name: 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cn1ncc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)C(F)(F)F)n3n2)c1C(=O)N1CCCCC1
• InChI: InChI=1S/C25H21F6N7O2/c1-36-21(23(40)37-9-3-2-4-10-37)18(13-32-36)34-22(39)17-12-20-33-16(14-5-7-15(26)8-6-14)11-19(38(20)35-17)24(27,28)25(29,30)31/h5-8,11-13H,2-4,9-10H2,1H3,(H,34,39)
• InChIKey: DEULOXTYHYJGNY-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 97.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.48
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19338817) is 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ncc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)C(F)(F)F)n3n2)c1C(=O)N1CCCCC1.

What is the InChIKey of 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is DEULOXTYHYJGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N7O2/c1-36-21(23(40)37-9-3-2-4-10-37)18(13-32-36)34-22(39)17-12-20-33-16(14-5-7-15(26)8-6-14)11-19(38(20)35-17)24(27,28)25(29,30)31/h5-8,11-13H,2-4,9-10H2,1H3,(H,34,39).

What are the key properties of 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 565.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19338817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).