5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C23H25N3O4 — CID 44589393

IUPAC5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CCN(CCc2ccc(OC)c(OC)c2)C3=O)cc1
InChIInChI=1S/C23H25N3O4/c1-28-18-7-5-17(6-8-18)19-15-20-23(27)25(12-13-26(20)24-19)11-10-16-4-9-21(29-2)22(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyJWGGRPWVLPTGPW-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.27
Rot. Bonds7

About 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589393) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589393
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2cc3n(n2)CCN(CCc2ccc(OC)c(OC)c2)C3=O)cc1
InChIInChI=1S/C23H25N3O4/c1-28-18-7-5-17(6-8-18)19-15-20-23(27)25(12-13-26(20)24-19)11-10-16-4-9-21(29-2)22(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyJWGGRPWVLPTGPW-UHFFFAOYSA-N
XLogP3.27
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589393) is 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2cc3n(n2)CCN(CCc2ccc(OC)c(OC)c2)C3=O)cc1.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JWGGRPWVLPTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-18-7-5-17(6-8-18)19-15-20-23(27)25(12-13-26(20)24-19)11-10-16-4-9-21(29-2)22(14-16)30-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 407.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).