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

C21H19N3O3 — CID 56950521

IUPAC2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1ccc(-c2cc3n(n2)CC(=O)N(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C21H19N3O3/c1-27-17-9-7-16(8-10-17)18-13-19-21(26)23(20(25)14-24(19)22-18)12-11-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3
InChIKeyYNCVYNYMINAJRP-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.78
Rot. Bonds5

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

2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 56950521) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID56950521
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1ccc(-c2cc3n(n2)CC(=O)N(CCc2ccccc2)C3=O)cc1
InChIInChI=1S/C21H19N3O3/c1-27-17-9-7-16(8-10-17)18-13-19-21(26)23(20(25)14-24(19)22-18)12-11-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3
InChIKeyYNCVYNYMINAJRP-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 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 56950521) is 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is COc1ccc(-c2cc3n(n2)CC(=O)N(CCc2ccccc2)C3=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is YNCVYNYMINAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-17-9-7-16(8-10-17)18-13-19-21(26)23(20(25)14-24(19)22-18)12-11-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
2-(4-methoxyphenyl)-5-(2-phenylethyl)-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 2-(4-methoxyphenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 56950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).