6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C25H34N6O5S — CID 20919483

About 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 20919483) has the molecular formula C25H34N6O5S and a molecular weight of 530.65 g/mol. Its IUPAC name is 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 20919483
• Molecular Formula: C25H34N6O5S
• Molecular Weight: 530.65 g/mol
• Exact Mass: 530.23
• IUPAC Name: 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CCCN1C(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2CC1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C25H34N6O5S/c1-3-14-30-23(33)21-15-20(22(32)27-13-12-17-8-10-19(11-9-17)37(26,35)36)29-31(21)16-25(30,2)24(34)28-18-6-4-5-7-18/h8-11,15,18H,3-7,12-14,16H2,1-2H3,(H,27,32)(H,28,34)(H2,26,35,36)
• InChIKey: KTSBJIIQQBTKLK-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 156.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.65
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The IUPAC name of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 20919483) is 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

What is the SMILES notation for 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The canonical SMILES for 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCCN1C(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2CC1(C)C(=O)NC1CCCC1.

What is the InChIKey of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

The InChIKey is KTSBJIIQQBTKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O5S/c1-3-14-30-23(33)21-15-20(22(32)27-13-12-17-8-10-19(11-9-17)37(26,35)36)29-31(21)16-25(30,2)24(34)28-18-6-4-5-7-18/h8-11,15,18H,3-7,12-14,16H2,1-2H3,(H,27,32)(H,28,34)(H2,26,35,36).

What are the key properties of 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?

6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 530.65 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopentyl-6-methyl-4-oxo-5-propyl-2-N-[2-(4-sulfamoylphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 20919483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).