(7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H15ClN4OS — CID 99741859

About (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 99741859) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 99741859
• Molecular Formula: C17H15ClN4OS
• Molecular Weight: 358.85 g/mol
• Exact Mass: 358.07
• IUPAC Name: (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: O=C1NC[C@@H](NCc2cccc(Cl)c2)n2nc(-c3cccs3)cc21
• InChI: InChI=1S/C17H15ClN4OS/c18-12-4-1-3-11(7-12)9-19-16-10-20-17(23)14-8-13(21-22(14)16)15-5-2-6-24-15/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1
• InChIKey: IJNPZEZRBUTJLK-INIZCTEOSA-N
• XLogP: 3.30
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.85
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 99741859) is (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@@H](NCc2cccc(Cl)c2)n2nc(-c3cccs3)cc21.

What is the InChIKey of (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is IJNPZEZRBUTJLK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-12-4-1-3-11(7-12)9-19-16-10-20-17(23)14-8-13(21-22(14)16)15-5-2-6-24-15/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1.

What are the key properties of (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?

(7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 358.85 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-7-[(3-chlorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 99741859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).