5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione

C21H19N3O3 — CID 57397205

IUPAC5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1cccc(CCN2C(=O)Cn3nc(-c4ccccc4)cc3C2=O)c1
InChIInChI=1S/C21H19N3O3/c1-27-17-9-5-6-15(12-17)10-11-23-20(25)14-24-19(21(23)26)13-18(22-24)16-7-3-2-4-8-16/h2-9,12-13H,10-11,14H2,1H3
InChIKeyHTMJMQURSXZYPW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.78
Rot. Bonds5

About 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione

5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57397205) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57397205
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1cccc(CCN2C(=O)Cn3nc(-c4ccccc4)cc3C2=O)c1
InChIInChI=1S/C21H19N3O3/c1-27-17-9-5-6-15(12-17)10-11-23-20(25)14-24-19(21(23)26)13-18(22-24)16-7-3-2-4-8-16/h2-9,12-13H,10-11,14H2,1H3
InChIKeyHTMJMQURSXZYPW-UHFFFAOYSA-N
XLogP2.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57397205) is 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is COc1cccc(CCN2C(=O)Cn3nc(-c4ccccc4)cc3C2=O)c1.
What is the InChIKey of 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is HTMJMQURSXZYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-17-9-5-6-15(12-17)10-11-23-20(25)14-24-19(21(23)26)13-18(22-24)16-7-3-2-4-8-16/h2-9,12-13H,10-11,14H2,1H3.
What are the key properties of 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 361.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenyl)ethyl]-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57397205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).