(7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H15FN4OS — CID 125127240

About (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

(7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127240) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 125127240
• Molecular Formula: C17H15FN4OS
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.10
• IUPAC Name: (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
• SMILES: O=C1NC[C@@H](NCc2cccs2)n2nc(-c3ccc(F)cc3)cc21
• InChI: InChI=1S/C17H15FN4OS/c18-12-5-3-11(4-6-12)14-8-15-17(23)20-10-16(22(15)21-14)19-9-13-2-1-7-24-13/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1
• InChIKey: LTBGXCRLOHMQJD-INIZCTEOSA-N
• XLogP: 2.78
• 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	342.40
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125127240) is (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

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

The canonical SMILES for (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@@H](NCc2cccs2)n2nc(-c3ccc(F)cc3)cc21.

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

The InChIKey is LTBGXCRLOHMQJD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-12-5-3-11(4-6-12)14-8-15-17(23)20-10-16(22(15)21-14)19-9-13-2-1-7-24-13/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1.

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

(7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 342.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-(4-fluorophenyl)-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).