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

C20H17N3O2 — CID 57393657

IUPAC2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19-14-23-18(13-17(21-23)16-9-5-2-6-10-16)20(25)22(19)12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyJSMPQIYLVDUGMN-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.78
Rot. Bonds4

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

2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57393657) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57393657
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-19-14-23-18(13-17(21-23)16-9-5-2-6-10-16)20(25)22(19)12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyJSMPQIYLVDUGMN-UHFFFAOYSA-N
XLogP2.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-5-(2-phenylethyl)-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

Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
App-butinaca
CID 154735174
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
Granisetron hydrochloride (JAN/USP)
CID 6918003
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57393657) is 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is O=C1Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is JSMPQIYLVDUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19-14-23-18(13-17(21-23)16-9-5-2-6-10-16)20(25)22(19)12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2.
What are the key properties of 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 331.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57393657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).