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

C19H20N4OS — CID 125127610

IUPAC(7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@H](NCCCc2ccccc2)n2nc(-c3cccs3)cc21
InChIInChI=1S/C19H20N4OS/c24-19-16-12-15(17-9-5-11-25-17)22-23(16)18(13-21-19)20-10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12,18,20H,4,8,10,13H2,(H,21,24)/t18-/m1/s1
InChIKeyODUJCGVOXDQWSK-GOSISDBHSA-N
MW352.46 g/mol
LogP3.08
Rot. Bonds6

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

(7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125127610) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID125127610
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@H](NCCCc2ccccc2)n2nc(-c3cccs3)cc21
InChIInChI=1S/C19H20N4OS/c24-19-16-12-15(17-9-5-11-25-17)22-23(16)18(13-21-19)20-10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12,18,20H,4,8,10,13H2,(H,21,24)/t18-/m1/s1
InChIKeyODUJCGVOXDQWSK-GOSISDBHSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125127610) is (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@H](NCCCc2ccccc2)n2nc(-c3cccs3)cc21.
What is the InChIKey of (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ODUJCGVOXDQWSK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19-16-12-15(17-9-5-11-25-17)22-23(16)18(13-21-19)20-10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12,18,20H,4,8,10,13H2,(H,21,24)/t18-/m1/s1.
What are the key properties of (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3-phenylpropylamino)-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125127610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).