5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H25F3N4O2 — CID 19466432

About 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466432) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19466432
• Molecular Formula: C18H25F3N4O2
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.19
• IUPAC Name: 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CC(C)OCCCNC(=O)c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1
• InChI: InChI=1S/C18H25F3N4O2/c1-11(2)27-8-6-7-22-16(26)12-9-15-23-13(17(3,4)5)10-14(18(19,20)21)25(15)24-12/h9-11H,6-8H2,1-5H3,(H,22,26)
• InChIKey: USFDNERJJZVOBF-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466432) is 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)OCCCNC(=O)c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1.

What is the InChIKey of 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is USFDNERJJZVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-11(2)27-8-6-7-22-16(26)12-9-15-23-13(17(3,4)5)10-14(18(19,20)21)25(15)24-12/h9-11H,6-8H2,1-5H3,(H,22,26).

What are the key properties of 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-(3-propan-2-yloxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).