5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F3N6O2 — CID 19328224

About 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19328224) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19328224
• Molecular Formula: C22H21F3N6O2
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.17
• IUPAC Name: 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCCn4cc(C)cn4)c3n2)cc1
• InChI: InChI=1S/C22H21F3N6O2/c1-14-11-27-30(13-14)9-3-8-26-21(32)17-12-28-31-19(22(23,24)25)10-18(29-20(17)31)15-4-6-16(33-2)7-5-15/h4-7,10-13H,3,8-9H2,1-2H3,(H,26,32)
• InChIKey: FRKHFQGKNLBZIK-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19328224) is 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCCn4cc(C)cn4)c3n2)cc1.

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

The InChIKey is FRKHFQGKNLBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-14-11-27-30(13-14)9-3-8-26-21(32)17-12-28-31-19(22(23,24)25)10-18(29-20(17)31)15-4-6-16(33-2)7-5-15/h4-7,10-13H,3,8-9H2,1-2H3,(H,26,32).

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

5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19328224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).