N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C30H34FN5O — CID 118175250

About N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 118175250) has the molecular formula C30H34FN5O and a molecular weight of 499.63 g/mol. Its IUPAC name is N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 118175250
• Molecular Formula: C30H34FN5O
• Molecular Weight: 499.63 g/mol
• Exact Mass: 499.27
• IUPAC Name: N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: CC(C)(C)c1cc2nc(-c3ccc(F)cc3)cc(C(=O)N(CCN3CCCC3)Cc3ccccc3)n2n1
• InChI: InChI=1S/C30H34FN5O/c1-30(2,3)27-20-28-32-25(23-11-13-24(31)14-12-23)19-26(36(28)33-27)29(37)35(18-17-34-15-7-8-16-34)21-22-9-5-4-6-10-22/h4-6,9-14,19-20H,7-8,15-18,21H2,1-3H3
• InChIKey: XXEPJUCROUVASP-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 53.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.63
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 118175250) is N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CC(C)(C)c1cc2nc(-c3ccc(F)cc3)cc(C(=O)N(CCN3CCCC3)Cc3ccccc3)n2n1.

What is the InChIKey of N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is XXEPJUCROUVASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O/c1-30(2,3)27-20-28-32-25(23-11-13-24(31)14-12-23)19-26(36(28)33-27)29(37)35(18-17-34-15-7-8-16-34)21-22-9-5-4-6-10-22/h4-6,9-14,19-20H,7-8,15-18,21H2,1-3H3.

What are the key properties of N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?

N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 5.57, 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-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 118175250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).