N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23F3N4O5 — CID 4118986

About N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4118986) has the molecular formula C22H23F3N4O5 and a molecular weight of 480.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 4118986
• Molecular Formula: C22H23F3N4O5
• Molecular Weight: 480.44 g/mol
• Exact Mass: 480.16
• IUPAC Name: N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C22H23F3N4O5/c1-31-16-7-12(8-17(32-2)19(16)33-3)15-9-18(22(23,24)25)29-20(28-15)14(11-27-29)21(30)26-10-13-5-4-6-34-13/h7-9,11,13H,4-6,10H2,1-3H3,(H,26,30)
• InChIKey: UCASNMYMMZIURA-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 96.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.44
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4118986) is N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc(OC)c1OC.

What is the InChIKey of N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UCASNMYMMZIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O5/c1-31-16-7-12(8-17(32-2)19(16)33-3)15-9-18(22(23,24)25)29-20(28-15)14(11-27-29)21(30)26-10-13-5-4-6-34-13/h7-9,11,13H,4-6,10H2,1-3H3,(H,26,30).

What are the key properties of N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4118986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).