5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H25F3N6O — CID 19466316

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

5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466316) has the molecular formula C20H25F3N6O and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19466316
• Molecular Formula: C20H25F3N6O
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.20
• IUPAC Name: 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C)n(CCCNC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)n1
• InChI: InChI=1S/C20H25F3N6O/c1-12-9-13(2)28(26-12)8-6-7-24-18(30)14-10-17-25-15(19(3,4)5)11-16(20(21,22)23)29(17)27-14/h9-11H,6-8H2,1-5H3,(H,24,30)
• InChIKey: IXJRBGWLFLGONO-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	3.68
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 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466316) is 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)n1.

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

The InChIKey is IXJRBGWLFLGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N6O/c1-12-9-13(2)28(26-12)8-6-7-24-18(30)14-10-17-25-15(19(3,4)5)11-16(20(21,22)23)29(17)27-14/h9-11H,6-8H2,1-5H3,(H,24,30).

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

5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).