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

C17H19N5OS2 — CID 131678064

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

N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 131678064) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 131678064
• Molecular Formula: C17H19N5OS2
• Molecular Weight: 373.51 g/mol
• Exact Mass: 373.10
• IUPAC Name: N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCCC1CN(Cc2ccsc2)Cc2ccnn21)c1cscn1
• InChI: InChI=1S/C17H19N5OS2/c23-17(16-11-25-12-19-16)18-4-1-14-8-21(7-13-3-6-24-10-13)9-15-2-5-20-22(14)15/h2-3,5-6,10-12,14H,1,4,7-9H2,(H,18,23)
• InChIKey: ONFUSDJXEOEBCH-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.51
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 131678064) is N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCC1CN(Cc2ccsc2)Cc2ccnn21)c1cscn1.

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

The InChIKey is ONFUSDJXEOEBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c23-17(16-11-25-12-19-16)18-4-1-14-8-21(7-13-3-6-24-10-13)9-15-2-5-20-22(14)15/h2-3,5-6,10-12,14H,1,4,7-9H2,(H,18,23).

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

N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131678064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).