N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide

C18H25N5OS — CID 131677993

About N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide

N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 131677993) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
• PubChem CID: 131677993
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
• SMILES: O=C(NCCC1CN(Cc2cccs2)Cc2ccnn21)N1CCCC1
• InChI: InChI=1S/C18H25N5OS/c24-18(22-9-1-2-10-22)19-7-5-15-12-21(14-17-4-3-11-25-17)13-16-6-8-20-23(15)16/h3-4,6,8,11,15H,1-2,5,7,9-10,12-14H2,(H,19,24)
• InChIKey: UWKSCKPFXFVFQC-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide (CID 131677993) is N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCC1CN(Cc2cccs2)Cc2ccnn21)N1CCCC1.

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

The InChIKey is UWKSCKPFXFVFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-18(22-9-1-2-10-22)19-7-5-15-12-21(14-17-4-3-11-25-17)13-16-6-8-20-23(15)16/h3-4,6,8,11,15H,1-2,5,7,9-10,12-14H2,(H,19,24).

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

N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131677993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).