N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C28H32FN5O — CID 46079897

About N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079897) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 46079897
• Molecular Formula: C28H32FN5O
• Molecular Weight: 473.60 g/mol
• Exact Mass: 473.26
• IUPAC Name: N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn12
• InChI: InChI=1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(21-13-9-10-14-22(21)29)17-24(34(26)31-25)27(35)33(16-15-32(4)5)19-20-11-7-6-8-12-20/h6-14,17-18H,15-16,19H2,1-5H3
• InChIKey: CFWZQAJGFHAZNA-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 53.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079897) is N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn12.

What is the InChIKey of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is CFWZQAJGFHAZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c1-28(2,3)25-18-26-30-23(21-13-9-10-14-22(21)29)17-24(34(26)31-25)27(35)33(16-15-32(4)5)19-20-11-7-6-8-12-20/h6-14,17-18H,15-16,19H2,1-5H3.

What are the key properties of N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).