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

C17H16N4OS — CID 99741830

IUPAC(7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@H](NCc2cccs2)n2nc(-c3ccccc3)cc21
InChIInChI=1S/C17H16N4OS/c22-17-15-9-14(12-5-2-1-3-6-12)20-21(15)16(11-19-17)18-10-13-7-4-8-23-13/h1-9,16,18H,10-11H2,(H,19,22)/t16-/m1/s1
InChIKeyDOSBELAQHNXUOB-MRXNPFEDSA-N
MW324.41 g/mol
LogP2.64
Rot. Bonds4

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

(7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 99741830) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID99741830
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NC[C@H](NCc2cccs2)n2nc(-c3ccccc3)cc21
InChIInChI=1S/C17H16N4OS/c22-17-15-9-14(12-5-2-1-3-6-12)20-21(15)16(11-19-17)18-10-13-7-4-8-23-13/h1-9,16,18H,10-11H2,(H,19,22)/t16-/m1/s1
InChIKeyDOSBELAQHNXUOB-MRXNPFEDSA-N
XLogP2.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 99741830) is (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NC[C@H](NCc2cccs2)n2nc(-c3ccccc3)cc21.
What is the InChIKey of (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DOSBELAQHNXUOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17-15-9-14(12-5-2-1-3-6-12)20-21(15)16(11-19-17)18-10-13-7-4-8-23-13/h1-9,16,18H,10-11H2,(H,19,22)/t16-/m1/s1.
What are the key properties of (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 324.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-phenyl-7-(thiophen-2-ylmethylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 99741830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).