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

C14H19N5O3S2 — CID 131678503

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

N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 131678503) has the molecular formula C14H19N5O3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 131678503
• Molecular Formula: C14H19N5O3S2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.09
• IUPAC Name: N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide
• SMILES: CCS(=O)(=O)N1Cc2ccnn2C(CCNC(=O)c2cscn2)C1
• InChI: InChI=1S/C14H19N5O3S2/c1-2-24(21,22)18-7-11(19-12(8-18)4-6-17-19)3-5-15-14(20)13-9-23-10-16-13/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,15,20)
• InChIKey: JZCZUWWSDWOCTL-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 131678503) is N-[2-(5-ethylsulfonyl-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-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide is CCS(=O)(=O)N1Cc2ccnn2C(CCNC(=O)c2cscn2)C1.

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

The InChIKey is JZCZUWWSDWOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2/c1-2-24(21,22)18-7-11(19-12(8-18)4-6-17-19)3-5-15-14(20)13-9-23-10-16-13/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,15,20).

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

N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131678503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).