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

C17H15FN4OS — CID 99741853

IUPAC(7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@@H](NCc2ccc(F)cc2)n2nc(-c3cccs3)cc21
InChIInChI=1S/C17H15FN4OS/c18-12-5-3-11(4-6-12)9-19-16-10-20-17(23)14-8-13(21-22(14)16)15-2-1-7-24-15/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1
InChIKeyKZSXYJQJTYJCFQ-INIZCTEOSA-N
MW342.40 g/mol
LogP2.78
Rot. Bonds4

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

(7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 99741853) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID99741853
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name(7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@@H](NCc2ccc(F)cc2)n2nc(-c3cccs3)cc21
InChIInChI=1S/C17H15FN4OS/c18-12-5-3-11(4-6-12)9-19-16-10-20-17(23)14-8-13(21-22(14)16)15-2-1-7-24-15/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1
InChIKeyKZSXYJQJTYJCFQ-INIZCTEOSA-N
XLogP2.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 99741853) is (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@@H](NCc2ccc(F)cc2)n2nc(-c3cccs3)cc21.
What is the InChIKey of (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KZSXYJQJTYJCFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-12-5-3-11(4-6-12)9-19-16-10-20-17(23)14-8-13(21-22(14)16)15-2-1-7-24-15/h1-8,16,19H,9-10H2,(H,20,23)/t16-/m0/s1.
What are the key properties of (7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-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)-7-[(4-fluorophenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 99741853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).