3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide

C16H24F2N4O — CID 131678218

About 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide

3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 131678218) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide
• PubChem CID: 131678218
• Molecular Formula: C16H24F2N4O
• Molecular Weight: 326.39 g/mol
• Exact Mass: 326.19
• IUPAC Name: 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide
• SMILES: CC(C)N1Cc2ccnn2C(CCNC(=O)C2CC(F)(F)C2)C1
• InChI: InChI=1S/C16H24F2N4O/c1-11(2)21-9-13(22-14(10-21)4-6-20-22)3-5-19-15(23)12-7-16(17,18)8-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,19,23)
• InChIKey: ZZKLDLJQWNEIPF-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.39
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide?

The IUPAC name of 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide (CID 131678218) is 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide.

What is the SMILES notation for 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide?

The canonical SMILES for 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide is CC(C)N1Cc2ccnn2C(CCNC(=O)C2CC(F)(F)C2)C1.

What is the InChIKey of 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide?

The InChIKey is ZZKLDLJQWNEIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-11(2)21-9-13(22-14(10-21)4-6-20-22)3-5-19-15(23)12-7-16(17,18)8-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,19,23).

What are the key properties of 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide?

3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 131678218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).