7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H18F6N6O — CID 19459996

About 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19459996) has the molecular formula C22H18F6N6O and a molecular weight of 496.42 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19459996
• Molecular Formula: C22H18F6N6O
• Molecular Weight: 496.42 g/mol
• Exact Mass: 496.14
• IUPAC Name: 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12
• InChI: InChI=1S/C22H18F6N6O/c1-12-9-18(22(26,27)28)32-33(12)8-2-7-29-21(35)15-11-30-34-17(19(24)25)10-16(31-20(15)34)13-3-5-14(23)6-4-13/h3-6,9-11,19H,2,7-8H2,1H3,(H,29,35)
• InChIKey: WGAUYEJEYVGMFA-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.42
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19459996) is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12.

What is the InChIKey of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WGAUYEJEYVGMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N6O/c1-12-9-18(22(26,27)28)32-33(12)8-2-7-29-21(35)15-11-30-34-17(19(24)25)10-16(31-20(15)34)13-3-5-14(23)6-4-13/h3-6,9-11,19H,2,7-8H2,1H3,(H,29,35).

What are the key properties of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 496.42 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19459996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).