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

C21H18ClN3O3 — CID 57397714

IUPAC2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1cccc(CCN2C(=O)Cn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1
InChIInChI=1S/C21H18ClN3O3/c1-28-17-4-2-3-14(11-17)9-10-24-20(26)13-25-19(21(24)27)12-18(23-25)15-5-7-16(22)8-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyUWRDKUYUCOHNJZ-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.44
Rot. Bonds5

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

2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57397714) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57397714
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESCOc1cccc(CCN2C(=O)Cn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1
InChIInChI=1S/C21H18ClN3O3/c1-28-17-4-2-3-14(11-17)9-10-24-20(26)13-25-19(21(24)27)12-18(23-25)15-5-7-16(22)8-6-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyUWRDKUYUCOHNJZ-UHFFFAOYSA-N
XLogP3.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57397714) is 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is COc1cccc(CCN2C(=O)Cn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is UWRDKUYUCOHNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-28-17-4-2-3-14(11-17)9-10-24-20(26)13-25-19(21(24)27)12-18(23-25)15-5-7-16(22)8-6-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 395.85 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57397714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).