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

C26H23F3N6O — CID 19466318

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

5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466318) has the molecular formula C26H23F3N6O and a molecular weight of 492.51 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19466318
• Molecular Formula: C26H23F3N6O
• Molecular Weight: 492.51 g/mol
• Exact Mass: 492.19
• IUPAC Name: 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccn(Cc4cccc5ccccc45)n3)cc2n1
• InChI: InChI=1S/C26H23F3N6O/c1-25(2,3)20-14-21(26(27,28)29)35-23(30-20)13-19(32-35)24(36)31-22-11-12-34(33-22)15-17-9-6-8-16-7-4-5-10-18(16)17/h4-14H,15H2,1-3H3,(H,31,33,36)
• InChIKey: FCBOJEMZKJDWSE-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.51
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466318) is 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccn(Cc4cccc5ccccc45)n3)cc2n1.

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

The InChIKey is FCBOJEMZKJDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O/c1-25(2,3)20-14-21(26(27,28)29)35-23(30-20)13-19(32-35)24(36)31-22-11-12-34(33-22)15-17-9-6-8-16-7-4-5-10-18(16)17/h4-14H,15H2,1-3H3,(H,31,33,36).

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

5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 492.51 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).