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

C20H16ClN3O2 — CID 57393659

IUPAC2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H16ClN3O2/c21-16-8-6-15(7-9-16)17-12-18-20(26)23(19(25)13-24(18)22-17)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyOXDQXUFKXAIMOP-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.43
Rot. Bonds4

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

2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57393659) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57393659
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H16ClN3O2/c21-16-8-6-15(7-9-16)17-12-18-20(26)23(19(25)13-24(18)22-17)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
InChIKeyOXDQXUFKXAIMOP-UHFFFAOYSA-N
XLogP3.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57393659) is 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is O=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is OXDQXUFKXAIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-16-8-6-15(7-9-16)17-12-18-20(26)23(19(25)13-24(18)22-17)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2.
What are the key properties of 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 365.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2-phenylethyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57393659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).