2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C14H16N4O2 — CID 91888567

IUPAC2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCNC1CNC(=O)c2cc(-c3cccc(OC)c3)nn21
InChIInChI=1S/C14H16N4O2/c1-15-13-8-16-14(19)12-7-11(17-18(12)13)9-4-3-5-10(6-9)20-2/h3-7,13,15H,8H2,1-2H3,(H,16,19)
InChIKeyJAYUIVPCZBGWJW-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.02
Rot. Bonds3

About 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91888567) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91888567
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCNC1CNC(=O)c2cc(-c3cccc(OC)c3)nn21
InChIInChI=1S/C14H16N4O2/c1-15-13-8-16-14(19)12-7-11(17-18(12)13)9-4-3-5-10(6-9)20-2/h3-7,13,15H,8H2,1-2H3,(H,16,19)
InChIKeyJAYUIVPCZBGWJW-UHFFFAOYSA-N
XLogP1.02
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 91888567) is 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CNC1CNC(=O)c2cc(-c3cccc(OC)c3)nn21.
What is the InChIKey of 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JAYUIVPCZBGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-15-13-8-16-14(19)12-7-11(17-18(12)13)9-4-3-5-10(6-9)20-2/h3-7,13,15H,8H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 272.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-(methylamino)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91888567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).