N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide

C18H26N4O2 — CID 131677947

About N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide

N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide (PubChem CID 131677947) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide
• PubChem CID: 131677947
• Molecular Formula: C18H26N4O2
• Molecular Weight: 330.43 g/mol
• Exact Mass: 330.21
• IUPAC Name: N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide
• SMILES: CC(C)CC(=O)NCCC1CN(Cc2ccco2)Cc2ccnn21
• InChI: InChI=1S/C18H26N4O2/c1-14(2)10-18(23)19-7-5-15-11-21(13-17-4-3-9-24-17)12-16-6-8-20-22(15)16/h3-4,6,8-9,14-15H,5,7,10-13H2,1-2H3,(H,19,23)
• InChIKey: QBEIVHHKSSKUHL-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.43
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide (CID 131677947) is N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide.

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

The canonical SMILES for N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCC1CN(Cc2ccco2)Cc2ccnn21.

What is the InChIKey of N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide?

The InChIKey is QBEIVHHKSSKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)10-18(23)19-7-5-15-11-21(13-17-4-3-9-24-17)12-16-6-8-20-22(15)16/h3-4,6,8-9,14-15H,5,7,10-13H2,1-2H3,(H,19,23).

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

N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide has a molecular weight of 330.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 131677947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).