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

C18H18N4O2S — CID 91888542

IUPAC7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(CNC2CNC(=O)c3cc(-c4cccs4)nn32)cc1
InChIInChI=1S/C18H18N4O2S/c1-24-13-6-4-12(5-7-13)10-19-17-11-20-18(23)15-9-14(21-22(15)17)16-3-2-8-25-16/h2-9,17,19H,10-11H2,1H3,(H,20,23)
InChIKeyGLIVEJIWEVXUSX-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.65
Rot. Bonds5

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

7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91888542) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91888542
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(CNC2CNC(=O)c3cc(-c4cccs4)nn32)cc1
InChIInChI=1S/C18H18N4O2S/c1-24-13-6-4-12(5-7-13)10-19-17-11-20-18(23)15-9-14(21-22(15)17)16-3-2-8-25-16/h2-9,17,19H,10-11H2,1H3,(H,20,23)
InChIKeyGLIVEJIWEVXUSX-UHFFFAOYSA-N
XLogP2.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91888542) is 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(CNC2CNC(=O)c3cc(-c4cccs4)nn32)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GLIVEJIWEVXUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-13-6-4-12(5-7-13)10-19-17-11-20-18(23)15-9-14(21-22(15)17)16-3-2-8-25-16/h2-9,17,19H,10-11H2,1H3,(H,20,23).
What are the key properties of 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 354.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methylamino]-2-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91888542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).