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

C19H20N4O2S — CID 125128549

IUPAC(7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3cccs3)nn21
InChIInChI=1S/C19H20N4O2S/c1-2-25-16-7-4-3-6-13(16)11-20-18-12-21-19(24)15-10-14(22-23(15)18)17-8-5-9-26-17/h3-10,18,20H,2,11-12H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyVQCNKPKCWMOYJO-SFHVURJKSA-N
MW368.46 g/mol
LogP3.04
Rot. Bonds6

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

(7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128549) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID125128549
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3cccs3)nn21
InChIInChI=1S/C19H20N4O2S/c1-2-25-16-7-4-3-6-13(16)11-20-18-12-21-19(24)15-10-14(22-23(15)18)17-8-5-9-26-17/h3-10,18,20H,2,11-12H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyVQCNKPKCWMOYJO-SFHVURJKSA-N
XLogP3.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 125128549) is (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3cccs3)nn21.
What is the InChIKey of (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VQCNKPKCWMOYJO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-25-16-7-4-3-6-13(16)11-20-18-12-21-19(24)15-10-14(22-23(15)18)17-8-5-9-26-17/h3-10,18,20H,2,11-12H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 368.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(2-ethoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).