2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid

C21H27F3N4O3S — CID 155854390

About 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid

2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155854390) has the molecular formula C21H27F3N4O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155854390
• Molecular Formula: C21H27F3N4O3S
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.18
• IUPAC Name: 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(CC1CN(CC2CCC2)Cc2ccnn21)NCCc1cccs1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H26N4OS.C2HF3O2/c24-19(20-8-7-18-5-2-10-25-18)11-17-14-22(12-15-3-1-4-15)13-16-6-9-21-23(16)17;3-2(4,5)1(6)7/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2,(H,20,24);(H,6,7)
• InChIKey: UXBWZOBYXUXOGR-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid (CID 155854390) is 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CN(CC2CCC2)Cc2ccnn21)NCCc1cccs1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is UXBWZOBYXUXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS.C2HF3O2/c24-19(20-8-7-18-5-2-10-25-18)11-17-14-22(12-15-3-1-4-15)13-16-6-9-21-23(16)17;3-2(4,5)1(6)7/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14H2,(H,20,24);(H,6,7).

What are the key properties of 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid?

2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 472.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155854390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).