5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H23F3N8O — CID 19466439

About 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466439) has the molecular formula C21H23F3N8O and a molecular weight of 460.46 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19466439
• Molecular Formula: C21H23F3N8O
• Molecular Weight: 460.46 g/mol
• Exact Mass: 460.19
• IUPAC Name: 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: CCn1cc(Cn2cc(NC(=O)c3cc4nc(C(C)(C)C)cc(C(F)(F)F)n4n3)cn2)cn1
• InChI: InChI=1S/C21H23F3N8O/c1-5-30-10-13(8-25-30)11-31-12-14(9-26-31)27-19(33)15-6-18-28-16(20(2,3)4)7-17(21(22,23)24)32(18)29-15/h6-10,12H,5,11H2,1-4H3,(H,27,33)
• InChIKey: FDCJPCQVXZIHDX-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 94.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.46
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466439) is 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Cn2cc(NC(=O)c3cc4nc(C(C)(C)C)cc(C(F)(F)F)n4n3)cn2)cn1.

What is the InChIKey of 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is FDCJPCQVXZIHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N8O/c1-5-30-10-13(8-25-30)11-31-12-14(9-26-31)27-19(33)15-6-18-28-16(20(2,3)4)7-17(21(22,23)24)32(18)29-15/h6-10,12H,5,11H2,1-4H3,(H,27,33).

What are the key properties of 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).