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

C19H14ClN3O2 — CID 57393658

IUPAC5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H14ClN3O2/c20-15-8-6-14(7-9-15)16-10-17-19(25)22(18(24)12-23(17)21-16)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeyUMTMNOZZNALIAV-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.39
Rot. Bonds3

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

5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (PubChem CID 57393658) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.

Molecular Properties

Compound Name5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
PubChem CID57393658
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
SMILESO=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H14ClN3O2/c20-15-8-6-14(7-9-15)16-10-17-19(25)22(18(24)12-23(17)21-16)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeyUMTMNOZZNALIAV-UHFFFAOYSA-N
XLogP3.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.39
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 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The IUPAC name of 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione (CID 57393658) is 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione.
What is the SMILES notation for 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The canonical SMILES for 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is O=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
The InChIKey is UMTMNOZZNALIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c20-15-8-6-14(7-9-15)16-10-17-19(25)22(18(24)12-23(17)21-16)11-13-4-2-1-3-5-13/h1-10H,11-12H2.
What are the key properties of 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione?
5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione has a molecular weight of 351.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-chlorophenyl)-7H-pyrazolo[1,5-a]pyrazine-4,6-dione is sourced from PubChem (CID 57393658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).